Molecule
ID:52192
General Information
Molecular Formula
C₁₃H₁₂N₂O
Molecular Mass
212.24718
Exact Mass
212.09496301
Charge
0
InChI
InChI=1S/C13H12N2O/c14-15-13(16)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
InChIKey
URSYVWKUCWNLMA-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccccc1c1ccccc1
Isomeric Smiles
C(=O)(c1c(cccc1)c1ccccc1)NN
Calculated Properties
JChem
Acid pKa
14.937377
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1737893
LogD (pH = 7.4)
2.1746252
Log P
2.174636
Molar Refractivity
64.7567
Polarizability
25.589926
Polar Surface Area
55.12
Rotatable Bonds
2
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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