Molecule

ID:89243

General Information
Structure
Molecular Formula
C₁₅H₂₂N₂
Molecular Mass
230.34858
Exact Mass
230.17829871
Charge
0
InChI
InChI=1S/C15H22N2/c1-17-11-8-12-4-2-3-5-14(12)15(17)13-6-9-16-10-7-13/h2-5,13,15-16H,6-11H2,1H3
InChIKey
PZHSWXZQRBFJRO-UHFFFAOYSA-N
Canonic Smiles
CN1CCc2c(C1C1CCNCC1)cccc2
Isomeric Smiles
N1CCC(C2N(CCc3ccccc23)C)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.2014112
LogD (pH = 7.4)
-2.067001
Log P
2.118657
Molar Refractivity
72.5549
Polarizability
28.467825
Polar Surface Area
15.27
Rotatable Bonds
1
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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