Molecule

ID:86277

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClN₂O₃
Molecular Mass
202.59508
Exact Mass
202.01451977
Charge
0
InChI
InChI=1S/C7H7ClN2O3/c8-4-6(9)10-13-7(11)5-2-1-3-12-5/h1-3H,4H2,(H2,9,10)
InChIKey
JXGHZQDNTIYJSL-UHFFFAOYSA-N
Canonic Smiles
ClC/C(=N/OC(=O)c1ccco1)/N
Isomeric Smiles
N(=C(\N)/CCl)\OC(=O)c1ccco1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.83086115
LogD (pH = 7.4)
0.83101404
Log P
0.831016
Molar Refractivity
45.3758
Polarizability
17.358917
Polar Surface Area
77.82
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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