Molecule

ID:84109

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClNO₅
Molecular Mass
319.6966
Exact Mass
319.02475011
Charge
0
InChI
InChI=1S/C15H10ClNO5/c16-13-7-6-11(17(20)21)8-12(13)15(19)22-9-14(18)10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
GZVATEIAGYVWFE-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)COC(=O)c1cc(ccc1Cl)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(c(cc1)Cl)C(=O)OCC(=O)c1ccccc1)[O-]
Calculated Properties
JChem
Acid pKa
13.716639
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.752974
LogD (pH = 7.4)
3.7529738
Log P
3.752974
Molar Refractivity
80.1145
Polarizability
30.09056
Polar Surface Area
89.19
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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