Acifluorfen sodiumProduct ingredient for Acifluorfen

Name
Acifluorfen sodium
Drug Entry
Acifluorfen

Acifluorfen is a protoporphyrinogen oxidase inhibitor.

Accession Number
DBSALT002807
Structure
Thumb
Synonyms
Acifluorfen-sodium / Sodium acifluorfen
External IDs
RH-6201
UNII
6H07I1G902
CAS Number
62476-59-9
Weight
Average: 383.64
Monoisotopic: 382.9784288
Chemical Formula
C14H6ClF3NNaO5
InChI Key
RVULBHWZFCBODE-UHFFFAOYSA-M
InChI
InChI=1S/C14H7ClF3NO5.Na/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21;/h1-6H,(H,20,21);/q;+1/p-1
IUPAC Name
sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SMILES
[Na+].[O-]C(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O
External Links
ChemSpider
40112
ChEMBL
CHEMBL3184255
Predicted Properties
PropertyValueSource
Water Solubility0.00137 mg/mLALOGPS
logP4.17ALOGPS
logP4.55ChemAxon
logS-5.4ALOGPS
pKa (Strongest Acidic)0.86ChemAxon
pKa (Strongest Basic)-3.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area92.5 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity87.49 m3·mol-1ChemAxon
Polarizability28.14 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon