Molecule

ID:81528

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNO
Molecular Mass
153.56576
Exact Mass
152.99814143
Charge
0
InChI
InChI=1S/C7H4ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
InChIKey
XWQDMIXVAYAZGB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(Cl)ccc1O
Isomeric Smiles
N#Cc1cc(ccc1O)Cl
Calculated Properties
JChem
Acid pKa
7.5639043
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.126117
LogD (pH = 7.4)
1.9052993
Log P
2.1298213
Molar Refractivity
38.5653
Polarizability
14.655017
Polar Surface Area
44.02
Rotatable Bonds
0
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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