Molecule
ID:80292
General Information
Molecular Formula
C₂₁H₃₅NO
Molecular Mass
317.5087
Exact Mass
317.27186475
Charge
0
InChI
InChI=1S/C21H35NO/c1-11-22(14-23)18-16(20(5,6)7)12-15(19(2,3)4)13-17(18)21(8,9)10/h12-14H,11H2,1-10H3
InChIKey
CEVSNDWOTXZWCU-UHFFFAOYSA-N
Canonic Smiles
CCN(c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C=O
Isomeric Smiles
N(c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C=O)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.0183005
LogD (pH = 7.4)
6.0183005
Log P
6.0183005
Molar Refractivity
100.2927
Polarizability
38.951813
Polar Surface Area
20.31
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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