Mrv1718009051817422D          

 13 12  0  0  0  0            999 V2000
    3.2284    0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2284   -0.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9381    0.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2133    0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9381    0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088    0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5037    0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7993    0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7841    0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0693    0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3648    0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0845    0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3496    0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  7  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11117

> <DATABASE_NAME>
drugbank

> <SMILES>
OC(=O)CCCCCCCCC=C

> <INCHI_IDENTIFIER>
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)

> <INCHI_KEY>
FRPZMMHWLSIFAZ-UHFFFAOYSA-N

> <FORMULA>
C11H20O2

> <MOLECULAR_WEIGHT>
184.2753

> <EXACT_MASS>
184.146329884

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
22.77572084328257

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
undec-10-enoic acid

> <ALOGPS_LOGP>
3.84

> <JCHEM_LOGP>
3.7297514663333335

> <ALOGPS_LOGS>
-3.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.021116877046745

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
54.1227

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.89e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
desenex

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB11117

> <SECONDARY_ACCESSION_NUMBERS>
DBSALT001514

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Undecylenic acid

> <SYNONYMS>
10-undecenoic acid; ácido 10-undecenoico; Undecenoic acid; Undecylenate; Undecylenic acid

> <PRODUCTS>
Anti-Fungal Pen CVS; Antifungal; Antifungal Foot Care; Athletes Foot; Botanimedix OnychoRX Antifungal Nail Gel; CRYSTAL FLUSH Maximum Strength Anti-Fungal Formula; CVS Maximum Strength Anti-Fungal Pen 25%; CVS Pharmacy Anti-fungal Pen Maximum Strength; CVS Pharmacy Maximum Strength Antifungal Liquid with Aloe and Vitamin E; Cruex Antifungal Cream; Cruex Medicated Spray Powder; Cure Athletes Foot; Cvs Maximum Strength Anti Fungal Pen 25; Dermaced Maximum Strength Anti-Fungal; Derman; Derman Antifungal; Desenex Antifungal Powder; Desenex Medicated Spray-ON Powder; DiabetiDerm Antifungal; Diabetic Antifungal; Diabetic Antifungal Professional; Diaderm Antifungal; Direct Naturals Fungus Clear; Dr. Luke Nail Repair Pen; ELON Dual Defense Anti Fungal Formula; EmoniNail Antifungal; Eternal Spirit Beauty Fungi Fresh; FLUSH Maximum Strength Antifungal formula; FUNGWAY Fungus Clearing; Fiore Rx Almond Milk Matte Antifungal Nail Lacquer; Fiore Rx Antifungal Nail Lacquer Red Velvet Cake; Fiore Rx Antifungal ProPen; Fiore Rx Coral Sorbet Antifungal Nail Polish; Fiore Rx CranApple Crush Antifungal Nail Polish; Fiore Rx Eggplant My Garden Antifungal Nail Polish; Fiore Rx Pink Peppermint Pie Antifungal Nail Polish; Fiore Rx Pixie Dust Pink Antifungal Nail Polish; Fiore Rx Rock Candy Clear Antifungal Nail Lacquer; Flexitol Anti Fungal; Foot Spray With Powder; Foot and Body Powder; Fungal Foot Spray 0.1%; Fungi Nail Toe and Foot; Fungi Nail Toe and Foot Anti-Fungal; Fungi Nail Toe and Foot MS; Fungi Nail Toe and Foot Pen; Fungi-rid - Liq 10%; Fungicure Anti-Fungal Liquid 25%; Fungicure LiquidGel; Fungicure Maximum Strength; Fungicure Professional Formula; Fungicure Ultra Original Formula; Funginix Anti-fungal Treatment; Good Neighbor Anti-Fungal; HC Max Hongo Cura; HC Max Hongo Cura MS; Hongo Cura MS; Hongo Cura RS; Hongo Killer; Hongo Killer Nail and Fungus; Hongocura; Hongocura M; Hongocura Pinceladas; Hongocura S; Human Science Antifungal Foot Care; Maximum Strength Antifungal Nail Liquid; Micocilen; Micocilen Antifungal; Myco Nail A Antifungal Solution; Natralia Anti Fungal; Nu Calmar; Nutra Nail FUNGI FREE Antifungal Treatment; Ovoquinol Cones; Ovoquinol Crm Vaginale; Pinceladas Goyescas Original Brush on Fungicide; Pinceladas Goyescas Original Fungicide; Pinceladas Para Hongos Navarro; Premier Value Antifungal Maximum Strength; Pureskin Fungal Nail Renewal; Puriya Antifungal Balm; RIte Aid Maximum Strength Foot Care Anti-fungal Pen; Remedy Nails; Rite Aid Fungal; Sally Hansen No More Fungus; Sanafitil; Sanafitil Talco; TING Athetes foot; TING Cream; Terpenicol; Terpenicol Antifungal; Tinaacide Athletes Foot; Tineacide; Tineacide Physician Formula; Tobcharm; TopCare Antifungal Maximum Strength; Topical Anti-Fungal Solution; Undecylenic Acid; Undecylenic Acid Liquid; Undesine; Vite20; Zeta Clear Antifungal; Zinc Undecylenate

> <SALTS>
Zinc undecylenate

$$$$