Molecule

ID:96365

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇Cl₂FN₂O₂
Molecular Mass
313.1112832
Exact Mass
311.98686105
Charge
0
InChI
InChI=1S/C13H7Cl2FN2O2/c14-10-6-8(3-4-11(10)16)7-18-20-13(19)9-2-1-5-17-12(9)15/h1-7H
InChIKey
BAIDLNZVFHWTNN-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(/C=N/OC(=O)c2cccnc2Cl)ccc1F
Isomeric Smiles
N(=C\c1cc(c(cc1)F)Cl)/OC(=O)c1c(nccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.2455893
LogD (pH = 7.4)
4.245591
Log P
4.245591
Molar Refractivity
75.0161
Polarizability
27.837275
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
No Data Available
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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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