Molecule

ID:121755

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-2-3-4-5-9-12(14-15)11-8-6-7-10-13-11/h6-8,10,15H,2-5,9H2,1H3/b14-12-
InChIKey
IMBPTFHRKCPHPX-OWBHPGMISA-N
Canonic Smiles
CCCCCC/C(=N/O)/c1ccccn1
Isomeric Smiles
C(=N\O)(\c1ncccc1)/CCCCCC
Calculated Properties
JChem
Acid pKa
9.4596615
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.186025
LogD (pH = 7.4)
3.1828268
Log P
3.1873615
Molar Refractivity
60.7845
Polarizability
23.732113
Polar Surface Area
45.48
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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