Molecule

ID:130962

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-2-3-4-5-6-11-14(16)19-13-10-8-7-9-12(13)15(17)18/h7-10H,2-6,11H2,1H3
InChIKey
JVGMTJWLAKQHRL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)Oc1ccccc1[N+](=O)[O-]
Isomeric Smiles
CCCCCCCC(=O)Oc1ccccc1[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.44387
LogD (pH = 7.4)
4.44387
Log P
4.44387
Molar Refractivity
72.147
Polarizability
27.684256
Polar Surface Area
72.12
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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