Molecule

ID:22681

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-2-3-4-8-12(15)14-11-7-5-6-10(13)9-11/h5-7,9H,2-4,8,13H2,1H3,(H,14,15)
InChIKey
XPCCFWSCQQDMIB-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(=O)Nc1cccc(c1)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)CCCCC
Calculated Properties
JChem
Acid pKa
14.127952
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.402784
LogD (pH = 7.4)
2.4160995
Log P
2.4162722
Molar Refractivity
64.0513
Polarizability
23.715736
Polar Surface Area
55.12
Rotatable Bonds
5
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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