Molecule
ID:83177
General Information
Molecular Formula
C₉H₆ClNO
Molecular Mass
179.60304
Exact Mass
179.0137915
Charge
0
InChI
InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-6H
InChIKey
IWUACMRENZNWBB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1c1ncco1
Isomeric Smiles
n1c(c2ccccc2Cl)occ1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5439494
LogD (pH = 7.4)
2.543952
Log P
2.5439522
Molar Refractivity
56.6738
Polarizability
18.466902
Polar Surface Area
26.03
Rotatable Bonds
1
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
No Data Available
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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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