Molecule

ID:27129

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₂
Molecular Mass
242.27316
Exact Mass
242.1055277
Charge
0
InChI
InChI=1S/C14H14N2O2/c15-16-13(17)14(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,18H,15H2,(H,16,17)
InChIKey
CAHGPINWWFMBKO-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(c1ccccc1)(c1ccccc1)O
Isomeric Smiles
C(=O)(C(c1ccccc1)(c1ccccc1)O)NN
Calculated Properties
JChem
Acid pKa
11.25043
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.4533857
LogD (pH = 7.4)
1.4540607
Log P
1.4541287
Molar Refractivity
69.7884
Polarizability
26.845095
Polar Surface Area
75.35
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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