Molecule

ID:21602

General Information
Structure
Molecular Formula
C₁₄H₁₄N₂O
Molecular Mass
226.27376
Exact Mass
226.11061308
Charge
0
InChI
InChI=1S/C14H14N2O/c15-16-14(17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,16,17)
InChIKey
YBBSKAGTEPBSNK-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(c1ccccc1)c1ccccc1
Isomeric Smiles
C(=O)(C(c1ccccc1)c1ccccc1)NN
Calculated Properties
JChem
Acid pKa
12.859938
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.182655
LogD (pH = 7.4)
2.184343
Log P
2.184366
Molar Refractivity
68.3414
Polarizability
26.253517
Polar Surface Area
55.12
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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