Molecule

ID:43749

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClNO
Molecular Mass
141.55506
Exact Mass
140.99814143
Charge
0
InChI
InChI=1S/C6H4ClNO/c7-6-3-1-2-5(4-9)8-6/h1-4H
InChIKey
XTRLIKXVRGWTKW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(n1)Cl
Isomeric Smiles
n1c(Cl)cccc1C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9668401
LogD (pH = 7.4)
1.9668407
Log P
1.9668407
Molar Refractivity
35.966
Polarizability
13.300328
Polar Surface Area
29.96
Rotatable Bonds
1
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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