Molecule

ID:39737

General Information
Structure
Molecular Formula
C₁₄H₁₅NO₆
Molecular Mass
293.272
Exact Mass
293.08993721
Charge
0
InChI
InChI=1S/C14H15NO6/c1-4-9-14(12(16)20-2,13(17)21-3)10-5-7-11(8-6-10)15(18)19/h4-8H,1,9H2,2-3H3
InChIKey
VYZNNCKJDVKCJN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccc(cc1)[N+](=O)[O-])(C(=O)OC)CC=C
Isomeric Smiles
C(C(=O)OC)(C(=O)OC)(c1ccc([N+](=O)[O-])cc1)CC=C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7186089
LogD (pH = 7.4)
2.7186089
Log P
2.7186089
Molar Refractivity
74.2673
Polarizability
28.300274
Polar Surface Area
98.42
Rotatable Bonds
8
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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