Molecule

ID:54117

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂O₃
Molecular Mass
190.58438
Exact Mass
190.01451977
Charge
0
InChI
InChI=1S/C6H7ClN2O3/c1-2-11-6(10)5-8-4(3-7)9-12-5/h2-3H2,1H3
InChIKey
JIKCEFWHWIEUHQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1onc(n1)CCl
Isomeric Smiles
c1(CCl)nc(on1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2824589
LogD (pH = 7.4)
1.2824589
Log P
1.2824589
Molar Refractivity
42.3028
Polarizability
15.665373
Polar Surface Area
65.22
Rotatable Bonds
4
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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