Molecule

ID:75815

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClN₂O₃
Molecular Mass
202.59508
Exact Mass
202.01451977
Charge
0
InChI
InChI=1S/C7H7ClN2O3/c1-2-13-7-6(10(11)12)3-5(8)4-9-7/h3-4H,2H2,1H3
InChIKey
ZYBDCRAUJIDTDQ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ncc(cc1[N+](=O)[O-])Cl
Isomeric Smiles
n1c(c(cc(c1)Cl)[N+](=O)[O-])OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.0931964
LogD (pH = 7.4)
2.0931964
Log P
2.0931964
Molar Refractivity
46.5517
Polarizability
17.714497
Polar Surface Area
65.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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