Molecule

ID:17730

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O
Molecular Mass
204.26824
Exact Mass
204.12626314
Charge
0
InChI
InChI=1S/C12H16N2O/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,13H2
InChIKey
AITMOJIGHBMWDB-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)N1CCCCC1
Isomeric Smiles
c1(C(=O)N2CCCCC2)cc(ccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2900482
LogD (pH = 7.4)
1.2926452
Log P
1.2926785
Molar Refractivity
61.7722
Polarizability
22.776663
Polar Surface Area
46.33
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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