Molecule

ID:118797

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c15-11-9-5-4-6-10(9)13-12(14-11)7-2-1-3-8-12/h13H,1-8H2,(H,14,15)
InChIKey
DHWUCXMIWCRSLV-UHFFFAOYSA-N
Canonic Smiles
O=C1NC2(CCCCC2)NC2=C1CCC2
Isomeric Smiles
C12=C(NC3(NC1=O)CCCCC3)CCC2
Calculated Properties
JChem
Acid pKa
12.215363
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3442862
LogD (pH = 7.4)
1.3520094
Log P
1.3521148
Molar Refractivity
59.7591
Polarizability
22.748451
Polar Surface Area
41.13
Rotatable Bonds
0
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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