Molecule

ID:133810

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₅NO₄
Molecular Mass
377.5176
Exact Mass
377.25660861
Charge
0
InChI
InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22(24)27-21-18-16-15-17-20(21)23(25)26/h15-18H,2-14,19H2,1H3
InChIKey
GOOWMQLOYNJICV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)Oc1ccccc1[N+](=O)[O-]
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)Oc1ccccc1[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
8.00042
LogD (pH = 7.4)
8.00042
Log P
8.00042
Molar Refractivity
108.955
Polarizability
42.393635
Polar Surface Area
72.12
Rotatable Bonds
17
Lipinski's Rule of Five
false
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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