Molecule

ID:102654

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₁NO₄
Molecular Mass
349.46444
Exact Mass
349.22530848
Charge
0
InChI
InChI=1S/C20H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(22)25-19-16-14-18(15-17-19)21(23)24/h14-17H,2-13H2,1H3
InChIKey
ZBBNFJIVAHGZKA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
CCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
7.1112823
LogD (pH = 7.4)
7.1112823
Log P
7.1112823
Molar Refractivity
99.753
Polarizability
38.708397
Polar Surface Area
72.12
Rotatable Bonds
15
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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