Molecule

ID:114678

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO
Molecular Mass
191.61374
Exact Mass
191.0137915
Charge
0
InChI
InChI=1S/C10H6ClNO/c11-8-1-2-10-9(5-8)7(6-13)3-4-12-10/h1-6H
InChIKey
CBKMCVSSHQYURY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccnc2c1cc(Cl)cc2
Isomeric Smiles
c12c(nccc2C=O)ccc(c1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4473794
LogD (pH = 7.4)
2.4474466
Log P
2.4474475
Molar Refractivity
51.3681
Polarizability
20.701965
Polar Surface Area
29.96
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
No Data Available
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Molecule Details
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References
Bioactivity
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