Molecule

ID:131357

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₉NO₄
Molecular Mass
405.57076
Exact Mass
405.28790873
Charge
0
InChI
InChI=1S/C24H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(26)29-23-20-18-17-19-22(23)25(27)28/h17-20H,2-16,21H2,1H3
InChIKey
GQOFUYZAMTVGQX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)Oc1ccccc1[N+](=O)[O-]
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)Oc1ccccc1[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
8.889557
LogD (pH = 7.4)
8.889557
Log P
8.889557
Molar Refractivity
118.157
Polarizability
46.077015
Polar Surface Area
72.12
Rotatable Bonds
19
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
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References
Bioactivity
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