Molecule

ID:108151

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₁N
Molecular Mass
261.44544
Exact Mass
261.24565
Charge
0
InChI
InChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16H,2-12,19H2,1H3
InChIKey
KLPPPIIIEMUEGP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCc1ccc(cc1)N
Isomeric Smiles
CCCCCCCCCCCCc1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
6.465649
LogD (pH = 7.4)
6.5468554
Log P
6.5479965
Molar Refractivity
86.4106
Polarizability
33.578594
Polar Surface Area
26.02
Rotatable Bonds
11
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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