Molecule

ID:121432

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆ClNO₄
Molecular Mass
251.62264
Exact Mass
250.99853536
Charge
0
InChI
InChI=1S/C11H6ClNO4/c12-9-3-1-7(5-10(9)13(15)16)11-4-2-8(6-14)17-11/h1-6H
InChIKey
VXFBRDXWYWWDJO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])Cl
Isomeric Smiles
[N+](=O)(c1cc(c2oc(cc2)C=O)ccc1Cl)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8572502
LogD (pH = 7.4)
2.8572502
Log P
2.8572502
Molar Refractivity
62.1761
Polarizability
23.868137
Polar Surface Area
76.03
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
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Molecule Details
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References
Bioactivity
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