Molecule

ID:36919

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-8(14-12(15)4-5-13)11-7-9-2-3-10(11)6-9/h8-11H,2-4,6-7H2,1H3,(H,14,15)
InChIKey
LFQOMKVFNXQTFL-UHFFFAOYSA-N
Canonic Smiles
N#CCC(=O)NC(C1CC2CC1CC2)C
Isomeric Smiles
C1(C2CC(CC2)C1)C(C)NC(=O)CC#N
Calculated Properties
JChem
Acid pKa
10.060232
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3401563
LogD (pH = 7.4)
1.3393263
Log P
1.3401669
Molar Refractivity
57.5438
Polarizability
22.4287
Polar Surface Area
52.89
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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