Molecule

ID:89246

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂
Molecular Mass
230.34858
Exact Mass
230.17829871
Charge
0
InChI
InChI=1S/C15H22N2/c1-2-4-14-13(3-1)7-10-17-15(14)11-12-5-8-16-9-6-12/h1-4,12,15-17H,5-11H2
InChIKey
IZWALCQMIJVJEF-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CC1NCCc2c1cccc2
Isomeric Smiles
N1C(c2ccccc2CC1)CC1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.316405
LogD (pH = 7.4)
-2.848519
Log P
2.102224
Molar Refractivity
71.9382
Polarizability
28.467907
Polar Surface Area
24.06
Rotatable Bonds
2
Lipinski's Rule of Five
true
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
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References
Bioactivity
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