Molecule

ID:29000

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₇NO
Molecular Mass
249.39168
Exact Mass
249.20926449
Charge
0
InChI
InChI=1S/C16H27NO/c1-5-6-7-12-18-15-10-8-14(9-11-15)13-17-16(2,3)4/h8-11,17H,5-7,12-13H2,1-4H3
InChIKey
WAODAQFHVVMIBB-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccc(cc1)CNC(C)(C)C
Isomeric Smiles
N(C(C)(C)C)Cc1ccc(cc1)OCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.98641336
LogD (pH = 7.4)
1.8037183
Log P
4.1963506
Molar Refractivity
78.0494
Polarizability
30.991714
Polar Surface Area
21.26
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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