Molecule

ID:44031

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClFN₂O
Molecular Mass
264.6827032
Exact Mass
264.04656885
Charge
0
InChI
InChI=1S/C13H10ClFN2O/c14-11-6-5-10(7-12(11)15)8-1-3-9(4-2-8)13(18)17-16/h1-7H,16H2,(H,17,18)
InChIKey
WWPOOMPCKOTZOD-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1)c1ccc(c(c1)F)Cl
Isomeric Smiles
C(=O)(c1ccc(c2cc(c(cc2)Cl)F)cc1)NN
Calculated Properties
JChem
Acid pKa
14.336646
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.9204953
LogD (pH = 7.4)
2.9213712
Log P
2.9213824
Molar Refractivity
69.7779
Polarizability
27.075302
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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