Molecule

ID:59449

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClNO
Molecular Mass
141.55506
Exact Mass
140.99814143
Charge
0
InChI
InChI=1S/C6H4ClNO/c7-6-3-8-2-1-5(6)4-9/h1-4H
InChIKey
ZVGDKOQPJCOCLI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccncc1Cl
Isomeric Smiles
c1c(c(ccn1)C=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0720658
LogD (pH = 7.4)
1.0721197
Log P
1.0721204
Molar Refractivity
35.2899
Polarizability
13.263058
Polar Surface Area
29.96
Rotatable Bonds
1
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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