Molecule

ID:89428

General Information
Structure
Molecular Formula
C₁₃H₁₈N₂
Molecular Mass
202.29542
Exact Mass
202.14699859
Charge
0
InChI
InChI=1S/C13H18N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-7,14H,8-12H2
InChIKey
WGEIOMTZIIOUMA-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)C/C=C/c1ccccc1
Isomeric Smiles
N1(C/C=C/c2ccccc2)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1754086
LogD (pH = 7.4)
0.15329596
Log P
1.9886299
Molar Refractivity
65.6747
Polarizability
25.449787
Polar Surface Area
15.27
Rotatable Bonds
3
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
References
Bioactivity
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