Molecule

ID:5920

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₇P-
Molecular Mass
302.197181
Exact Mass
302.04296339
Charge
-1
InChI
InChI=1S/C11H14NO7P/c13-11(14)3-1-2-8-20(17,18)19-10-6-4-9(5-7-10)12(15)16/h4-7H,1-3,8H2,(H,13,14)(H,17,18)/p-1
InChIKey
XVVZSEXTAACTPS-UHFFFAOYSA-M
Canonic Smiles
OC(=O)CCCCP(=O)(Oc1ccc(cc1)[N+](=O)[O-])[O-]
Isomeric Smiles
c1([N+](=O)[O-])ccc(cc1)OP(=O)([O-])CCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.83
LogD (pH = 5.5)
-2.05
Log P
1.39
Rotatable Bonds
8
H Donor
1
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
1.81
Polar Surface Area
129.80
Polarizability
26.93
Molar Refractivity
66.90
LOG S
-1.98
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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