Molecule

ID:29116

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₇NO
Molecular Mass
249.39168
Exact Mass
249.20926449
Charge
0
InChI
InChI=1S/C16H27NO/c1-4-5-6-7-12-18-16-10-8-15(9-11-16)13-17-14(2)3/h8-11,14,17H,4-7,12-13H2,1-3H3
InChIKey
GKAHHXXTWYHPEM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccc(cc1)CNC(C)C
Isomeric Smiles
N(Cc1ccc(cc1)OCCCCCC)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1577933
LogD (pH = 7.4)
2.0490437
Log P
4.3603425
Molar Refractivity
78.0122
Polarizability
30.991716
Polar Surface Area
21.26
Rotatable Bonds
9
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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