Molecule
ID:55902
General Information
Molecular Formula
C₁₅H₁₈N₂
Molecular Mass
226.31682
Exact Mass
226.14699859
Charge
0
InChI
InChI=1S/C15H18N2/c16-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)15(14)17/h1-8,17H2
InChIKey
YIAIHKYSUCSBQA-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c2CCCCc2c2c(c1N)CCCC2
Isomeric Smiles
c1(c(c2c(c3c1CCCC3)CCCC2)N)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.903889
LogD (pH = 7.4)
3.9049115
Log P
3.9049244
Molar Refractivity
71.4444
Polarizability
26.271212
Polar Surface Area
49.81
Rotatable Bonds
0
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
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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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