Molecule

ID:118363

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c13-10-6-8-2-1-5-14-11(15)4-3-9(7-10)12(8)14/h6-7H,1-5,13H2
InChIKey
BICPLTPRFPFIIB-UHFFFAOYSA-N
Canonic Smiles
Nc1cc2CCCN3c2c(c1)CCC3=O
Isomeric Smiles
N12c3c(cc(cc3CCC2)N)CCC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0280892
LogD (pH = 7.4)
1.0361129
Log P
1.0362161
Molar Refractivity
59.9128
Polarizability
22.24785
Polar Surface Area
46.33
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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