Molecule

ID:65970

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClN₂O₄
Molecular Mass
230.60518
Exact Mass
230.00943439
Charge
0
InChI
InChI=1S/C8H7ClN2O4/c1-2-15-8(12)5-3-7(9)10-4-6(5)11(13)14/h3-4H,2H2,1H3
InChIKey
VXTKSUGJWMHWKD-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cnc(cc1C(=O)OCC)Cl
Isomeric Smiles
c1(c(C(=O)OCC)cc(nc1)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8800644
LogD (pH = 7.4)
1.8800644
Log P
1.8800644
Molar Refractivity
53.8658
Polarizability
19.735313
Polar Surface Area
85.01
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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