Molecule

ID:83301

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClN₂O₈
Molecular Mass
382.70944
Exact Mass
382.020393
Charge
0
InChI
InChI=1S/C15H11N2O4.ClHO4/c18-17(19)15-7-6-14(21-15)13(11-12-5-4-10-20-12)16-8-2-1-3-9-16;2-1(3,4)5/h1-11H;(H,2,3,4,5)/q+1;/p-1
InChIKey
FBKXYLRVMHEPIU-UHFFFAOYSA-M
Canonic Smiles
[O-][Cl](=O)(=O)=O.[O-][N+](=O)c1ccc(o1)/C(=C/c1ccco1)/[n+]1ccccc1
Isomeric Smiles
[N+](=O)(c1ccc(o1)/C(=C/c1ccco1)/[n+]1ccccc1)[O-].[Cl](=O)(=O)(=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.4902086
LogD (pH = 7.4)
-1.4902086
Log P
-1.4902086
Molar Refractivity
76.5601
Polarizability
28.080256
Polar Surface Area
75.98
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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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