Molecule

ID:58112

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-13-9-11-7-8-14(10-11)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKey
SANIGXYLRPTFNH-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCN(C1)c1ccccc1
Isomeric Smiles
c1(ccccc1)N1CC(CC1)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4624912
LogD (pH = 7.4)
-0.9880776
Log P
1.7826366
Molar Refractivity
60.7612
Polarizability
23.351952
Polar Surface Area
15.27
Rotatable Bonds
3
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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