Molecule

ID:116957

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-14-8-7-13-12(10-14)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKey
NJHPPXZJEYFKMD-UHFFFAOYSA-N
Canonic Smiles
CN1CCNC(C1)Cc1ccccc1
Isomeric Smiles
N1(CC(NCC1)Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5548413
LogD (pH = 7.4)
-0.09778438
Log P
1.7271425
Molar Refractivity
59.7813
Polarizability
23.674967
Polar Surface Area
15.27
Rotatable Bonds
2
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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