Molecule

ID:24639

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClNO
Molecular Mass
255.699
Exact Mass
255.04509163
Charge
0
InChI
InChI=1S/C15H10ClNO/c16-15-13(10-18)12-8-4-5-9-14(12)17(15)11-6-2-1-3-7-11/h1-10H
InChIKey
IOEMMFHEICHTSW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c2ccccc2n(c1Cl)c1ccccc1
Isomeric Smiles
c1(c(c2c(n1c1ccccc1)cccc2)C=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4647
LogD (pH = 7.4)
3.4647
Log P
3.4647
Molar Refractivity
83.528
Polarizability
29.653147
Polar Surface Area
22.0
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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