Molecule

ID:28801

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈N₂
Molecular Mass
262.34892
Exact Mass
262.14699859
Charge
0
InChI
InChI=1S/C18H18N2/c1-2-9-18-16(6-1)7-3-8-17(18)10-12-20-14-15-5-4-11-19-13-15/h1-9,11,13,20H,10,12,14H2
InChIKey
JZJKIGWJDUVHCS-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)CNCCc1cccc2c1cccc2
Isomeric Smiles
c12c(cccc1cccc2)CCNCc1cnccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.13952999
LogD (pH = 7.4)
1.2236493
Log P
3.3165333
Molar Refractivity
82.9669
Polarizability
33.669617
Polar Surface Area
24.92
Rotatable Bonds
5
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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