Molecule

ID:37041

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉ClN₂O
Molecular Mass
256.68706
Exact Mass
256.0403406
Charge
0
InChI
InChI=1S/C14H9ClN2O/c15-9-6-7-12-11(8-9)13(14(18)17-12)16-10-4-2-1-3-5-10/h1-8H,(H,16,17,18)
InChIKey
VFXPKKZLSCGOIH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)/C(=N/c1ccccc1)/C(=O)N2
Isomeric Smiles
c1(ccc2c(c1)/C(=N/c1ccccc1)/C(=O)N2)Cl
Calculated Properties
JChem
Acid pKa
10.038699
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7173347
LogD (pH = 7.4)
3.7163997
Log P
3.717347
Molar Refractivity
74.0254
Polarizability
26.624615
Polar Surface Area
41.46
Rotatable Bonds
1
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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