Molecule

ID:18036

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂O₂
Molecular Mass
174.58498
Exact Mass
174.01960515
Charge
0
InChI
InChI=1S/C6H7ClN2O2/c1-4-2-5(9-11-4)8-6(10)3-7/h2H,3H2,1H3,(H,8,9,10)
InChIKey
DXJICGSIRAJIDN-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(no1)NC(=O)CCl
Isomeric Smiles
c1(noc(c1)C)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
11.05182
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9068628
LogD (pH = 7.4)
0.90677226
Log P
0.9068642
Molar Refractivity
42.5794
Polarizability
14.967871
Polar Surface Area
55.13
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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