Molecule

ID:58082

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c15-10-12-4-2-6-14(9-12)8-11-3-1-5-13-7-11/h1,3,5,7,12,15H,2,4,6,8-10H2
InChIKey
FNXJMDSDUPCAOP-UHFFFAOYSA-N
Canonic Smiles
OCC1CCCN(C1)Cc1cccnc1
Isomeric Smiles
N1(Cc2cnccc2)CC(CO)CCC1
Calculated Properties
JChem
Acid pKa
15.431447
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.396125
LogD (pH = 7.4)
-0.65343887
Log P
0.51718724
Molar Refractivity
60.8873
Polarizability
23.735353
Polar Surface Area
36.36
Rotatable Bonds
3
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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