Molecule

ID:51061

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKey
QOFUDSPYJDXBOF-UHFFFAOYSA-N
Canonic Smiles
CC1NCCN(C1)Cc1ccccc1
Isomeric Smiles
N1(CCNC(C1)C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6043661
LogD (pH = 7.4)
-0.28553608
Log P
1.7952893
Molar Refractivity
59.7749
Polarizability
23.75333
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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