Mrv1909 11291916492D          

 19 17  0  0  0  0            999 V2000
    4.6623    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.4152    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3058    0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0203    0.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0203   -0.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5913    0.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8769    0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3058   -1.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3058   -1.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5913   -0.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8769   -1.0156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1624   -0.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1624    0.2218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5520   -1.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2664    0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9809    0.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2664   -0.6031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9809   -1.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954   -0.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  8 10  2  0  0  0  0
 10  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 17  1  0  0  0  0
 17 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT000900

> <DATABASE_NAME>
drugbank

> <SMILES>
O.Cl.CCN(CC)CC(=O)NC1=C(C)C=CC=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C14H22N2O.ClH.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H;1H2

> <INCHI_KEY>
YECIFGHRMFEPJK-UHFFFAOYSA-N

> <FORMULA>
C14H25ClN2O2

> <MOLECULAR_WEIGHT>
288.82

> <EXACT_MASS>
288.1604558

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
27.767945514113045

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide hydrate hydrochloride

> <ALOGPS_LOGP>
1.81

> <JCHEM_LOGP>
2.842913359666667

> <ALOGPS_LOGS>
-2.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.775423132503196

> <JCHEM_PKA_STRONGEST_BASIC>
7.754504502964598

> <JCHEM_POLAR_SURFACE_AREA>
32.34

> <JCHEM_REFRACTIVITY>
73.92960000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.93e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
palladium(2+) (4S,5S,14R,15R)-10-acetyl-4-(2-carboxyethyl)-15-ethyl-2-(2-methoxy-2-oxoethyl)-5,9,14,19-tetramethyl-20-[(2-sulfoethyl)carbamoyl]-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),6,8,10,12,16(22),17,19-nonaene-21,23-diide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT000900

> <NAME>
Lidocaine hydrochloride

> <DRUG_DRUGBANK_ID>
DB00281

> <DRUG_NAME>
Lidocaine

> <CAS_NUMBER>
6108-05-0

> <UNII>
V13007Z41A

$$$$