Molecule

ID:69686

General Information
Structure
Molecular Formula
C₁₆H₂₇N
Molecular Mass
233.39228
Exact Mass
233.21434987
Charge
0
InChI
InChI=1S/C16H27N/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h11-14H,2-10,17H2,1H3
InChIKey
WGENWPANMZLPIH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCc1ccc(cc1)N
Isomeric Smiles
Nc1ccc(cc1)CCCCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.5765114
LogD (pH = 7.4)
5.6577177
Log P
5.6588593
Molar Refractivity
77.2086
Polarizability
29.884523
Polar Surface Area
26.02
Rotatable Bonds
9
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
References
Bioactivity
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