Molecule

ID:78751

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-4-9-14(10-5-1)11-7-12-6-2-3-8-13-12/h2-3,6,8H,1,4-5,7,9-11H2
InChIKey
ZOXWZYTVCGKPOX-UHFFFAOYSA-N
Canonic Smiles
C1CCN(CC1)CCc1ccccn1
Isomeric Smiles
N1(CCc2ncccc2)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.335281
LogD (pH = 7.4)
0.2656813
Log P
1.8658209
Molar Refractivity
58.763
Polarizability
23.066341
Polar Surface Area
16.13
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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