Molecule

ID:116973

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂
Molecular Mass
230.34858
Exact Mass
230.17829871
Charge
0
InChI
InChI=1S/C15H22N2/c1-2-6-14(7-3-1)12-17-11-10-16-15(13-17)8-4-5-9-15/h1-3,6-7,16H,4-5,8-13H2
InChIKey
KHJUEFXVUZMIBB-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CN1CCNC2(C1)CCCC2
Isomeric Smiles
N1(CC2(NCC1)CCCC2)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0025952
LogD (pH = 7.4)
0.23734668
Log P
2.6571848
Molar Refractivity
71.6589
Polarizability
28.551031
Polar Surface Area
15.27
Rotatable Bonds
2
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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