Molecule

ID:55984

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,14H,2-8H2
InChIKey
OHYSSBLWXFRRIR-UHFFFAOYSA-N
Canonic Smiles
N#CCNC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(CC3CC(C1)CC(C2)C3)NCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.50750166
LogD (pH = 7.4)
1.3953586
Log P
1.4344602
Molar Refractivity
55.3741
Polarizability
22.0156
Polar Surface Area
35.82
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
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References
Bioactivity
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