Molecule

ID:84085

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClNO
Molecular Mass
255.699
Exact Mass
255.04509163
Charge
0
InChI
InChI=1S/C15H10ClNO/c16-11-5-3-4-10(8-11)15-13(9-18)12-6-1-2-7-14(12)17-15/h1-9,17H
InChIKey
NXBHSITUAMCMLR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c([nH]c2c1cccc2)c1cccc(c1)Cl
Isomeric Smiles
[nH]1c(c(c2ccccc12)C=O)c1cccc(c1)Cl
Calculated Properties
JChem
Acid pKa
12.499303
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.9557812
LogD (pH = 7.4)
3.9557784
Log P
3.9557812
Molar Refractivity
73.547
Polarizability
30.311577
Polar Surface Area
32.86
Rotatable Bonds
2
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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