Molecule

ID:36441

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄ClNO₅
Molecular Mass
253.59546
Exact Mass
252.97779991
Charge
0
InChI
InChI=1S/C10H4ClNO5/c11-6-1-7-9(14)5(3-13)4-17-10(7)8(2-6)12(15)16/h1-4H
InChIKey
YDPKRYWMRCGBMB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1coc2c(c1=O)cc(cc2[N+](=O)[O-])Cl
Isomeric Smiles
c1(cc(c2c(c1)c(=O)c(co2)C=O)[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.6421362
LogD (pH = 7.4)
1.6421362
Log P
1.6421362
Molar Refractivity
58.5665
Polarizability
21.500216
Polar Surface Area
89.19
Rotatable Bonds
2
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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