Molecule

ID:25232

General Information
Structure
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-11-4-2-3-5-12(11)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChIKey
GRVNOUKHAZXMJK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1CN1CCNCC1
Isomeric Smiles
N1(Cc2c(C)cccc2)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4550198
LogD (pH = 7.4)
-0.097832456
Log P
1.8921356
Molar Refractivity
60.3973
Polarizability
23.672272
Polar Surface Area
15.27
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
References
Bioactivity
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