Molecule

ID:22440

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClNO
Molecular Mass
141.55506
Exact Mass
140.99814143
Charge
0
InChI
InChI=1S/C6H4ClNO/c7-6-3-5(4-9)1-2-8-6/h1-4H
InChIKey
UFPOSTQMFOYHJI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccnc(c1)Cl
Isomeric Smiles
n1c(cc(C=O)cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2922974
LogD (pH = 7.4)
1.2922976
Log P
1.2922976
Molar Refractivity
36.3512
Polarizability
13.296137
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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