Molecule
ID:80209
General Information
Molecular Formula
C₁₅H₂₈N₂
Molecular Mass
236.39622
Exact Mass
236.22524891
Charge
0
InChI
InChI=1S/C15H28N2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17/h12,14-15H,2-11,13H2,1H3
InChIKey
JMTFLSQHQSFNTE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCn1ccnc1
Isomeric Smiles
n1cn(CCCCCCCCCCCC)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4260244
LogD (pH = 7.4)
4.890188
Log P
4.9589
Molar Refractivity
74.5911
Polarizability
29.190248
Polar Surface Area
17.82
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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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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