Molecule

ID:42635

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O₂
Molecular Mass
226.2307
Exact Mass
226.07422757
Charge
0
InChI
InChI=1S/C13H10N2O2/c14-15-13(16)12-7-10-9-4-2-1-3-8(9)5-6-11(10)17-12/h1-7H,14H2,(H,15,16)
InChIKey
LAMSRGJJBGMGDU-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1oc2c(c1)c1ccccc1cc2
Isomeric Smiles
c1(cc2c(o1)ccc1c2cccc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.508931
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5955421
LogD (pH = 7.4)
1.5960028
Log P
1.5960118
Molar Refractivity
64.7893
Polarizability
26.51801
Polar Surface Area
68.26
Rotatable Bonds
1
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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