Molecule

ID:11081

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂
Molecular Mass
230.34858
Exact Mass
230.17829871
Charge
0
InChI
InChI=1S/C15H22N2/c1-17-14-7-8-15(17)10-13(9-14)16-11-12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3
InChIKey
IJBWOPMYRYEKGI-UHFFFAOYSA-N
Canonic Smiles
CN1C2CCC1CC(C2)NCc1ccccc1
Isomeric Smiles
N1(C2CC(CC1CC2)NCc1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6248503
LogD (pH = 7.4)
-1.3299879
Log P
2.0837324
Molar Refractivity
71.6385
Polarizability
28.551064
Polar Surface Area
15.27
Rotatable Bonds
3
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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