Molecule

ID:56299

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClNO₄
Molecular Mass
215.59054
Exact Mass
214.99853536
Charge
0
InChI
InChI=1S/C8H6ClNO4/c9-8(11)5-14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2
InChIKey
FLUYDOVOMDZUEV-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)COc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(OCC(=O)Cl)cc1)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7668717
LogD (pH = 7.4)
1.7668717
Log P
1.7668717
Molar Refractivity
49.789
Polarizability
18.668089
Polar Surface Area
72.12
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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