Molecule

ID:60634

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂O₂
Molecular Mass
174.58498
Exact Mass
174.01960515
Charge
0
InChI
InChI=1S/C6H7ClN2O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,1-2H3
InChIKey
VATQPUHLFQHDBD-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(=O)n(c(=O)n1C)C
Isomeric Smiles
c1(=O)n(c(cc(=O)n1C)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.26137236
LogD (pH = 7.4)
0.26137236
Log P
0.26137236
Molar Refractivity
50.6129
Polarizability
15.227292
Polar Surface Area
40.62
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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