Molecule
ID:52020
General Information
Molecular Formula
C₁₃H₁₂N₂O₂
Molecular Mass
228.24658
Exact Mass
228.08987763
Charge
0
InChI
InChI=1S/C13H12N2O2/c14-15-13(16)11-8-4-5-9-12(11)17-10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
InChIKey
PIMAJOVNMMNVCZ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccccc1Oc1ccccc1
Isomeric Smiles
C(=O)(c1c(cccc1)Oc1ccccc1)NN
Calculated Properties
JChem
Acid pKa
13.404855
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0269535
LogD (pH = 7.4)
2.0276878
Log P
2.0276976
Molar Refractivity
65.8613
Polarizability
24.91201
Polar Surface Area
64.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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