Molecule

ID:65443

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClN₂O₅
Molecular Mass
260.63116
Exact Mass
260.01999908
Charge
0
InChI
InChI=1S/C9H9ClN2O5/c1-3-17-9(13)5-4-11-8(16-2)7(6(5)10)12(14)15/h4H,3H2,1-2H3
InChIKey
OEGBHWXKKYNQGK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(c(c1Cl)[N+](=O)[O-])OC
Isomeric Smiles
c1([N+](=O)[O-])c(c(cnc1OC)C(=O)OCC)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.0966735
LogD (pH = 7.4)
2.0966735
Log P
2.0966735
Molar Refractivity
59.5812
Polarizability
22.295404
Polar Surface Area
94.24
Rotatable Bonds
5
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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