Molecule

ID:54982

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O₂
Molecular Mass
218.25176
Exact Mass
218.1055277
Charge
0
InChI
InChI=1S/C12H14N2O2/c13-12(16)10-6-7-11(15)14(10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,16)
InChIKey
AUMWGCKMYAACDZ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CCC(=O)N1Cc1ccccc1
Isomeric Smiles
N1(C(CCC1=O)C(=O)N)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
15.986813
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.25153685
LogD (pH = 7.4)
0.25153688
Log P
0.25153688
Molar Refractivity
59.4193
Polarizability
23.069351
Polar Surface Area
63.4
Rotatable Bonds
3
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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