Molecule
ID:88498
General Information
Molecular Formula
C₁₂H₁₀ClNO
Molecular Mass
219.6669
Exact Mass
219.04509163
Charge
0
InChI
InChI=1S/C12H10ClNO/c13-10-6-4-9(5-7-10)12(15)11-3-1-2-8-14-11/h1-8,12,15H
InChIKey
ZFUPOFQRQNJDNS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(c1ccccn1)O
Isomeric Smiles
n1c(cccc1)C(c1ccc(cc1)Cl)O
Calculated Properties
JChem
Acid pKa
13.03347
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5886734
LogD (pH = 7.4)
2.6098907
Log P
2.6101696
Molar Refractivity
59.3575
Polarizability
23.332308
Polar Surface Area
33.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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