Molecule

ID:77862

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNO
Molecular Mass
153.56576
Exact Mass
152.99814143
Charge
0
InChI
InChI=1S/C7H4ClNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
InChIKey
BDDVAWDNVWLHDQ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1Cl)O
Isomeric Smiles
N#Cc1c(cc(cc1)O)Cl
Calculated Properties
JChem
Acid pKa
7.206078
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1214163
LogD (pH = 7.4)
1.7255828
Log P
2.1298213
Molar Refractivity
38.5653
Polarizability
14.677911
Polar Surface Area
44.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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