Molecule

ID:96378

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇Cl₂FN₂O₂
Molecular Mass
313.1112832
Exact Mass
311.98686105
Charge
0
InChI
InChI=1S/C13H7Cl2FN2O2/c14-10-5-8(1-3-11(10)16)6-18-20-13(19)9-2-4-12(15)17-7-9/h1-7H
InChIKey
FXRBVVBVWSLBAL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)C(=O)O/N=C/c1ccc(c(c1)Cl)F
Isomeric Smiles
n1cc(ccc1Cl)C(=O)O/N=C/c1cc(c(cc1)F)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.2455893
LogD (pH = 7.4)
4.245591
Log P
4.245591
Molar Refractivity
75.0161
Polarizability
27.823065
Polar Surface Area
51.55
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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