Molecule

ID:88409

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O
Molecular Mass
214.26306
Exact Mass
214.11061308
Charge
0
InChI
InChI=1S/C13H14N2O/c1-10(16)14-15(2)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3,(H,14,16)
InChIKey
DGIPHNGZEJBGDK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NN(c1cccc2c1cccc2)C
Isomeric Smiles
N(C(=O)C)N(c1cccc2ccccc12)C
Calculated Properties
JChem
Acid pKa
13.925384
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1081731
LogD (pH = 7.4)
2.108306
Log P
2.1083076
Molar Refractivity
74.402
Polarizability
25.74042
Polar Surface Area
32.34
Rotatable Bonds
2
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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