Molecule
ID:42541
General Information
Molecular Formula
C₁₂H₁₀N₂O₂
Molecular Mass
214.22
Exact Mass
214.07422757
Charge
0
InChI
InChI=1S/C12H10N2O2/c13-12(16)10-6-9(7-14-10)11(15)8-4-2-1-3-5-8/h1-7,14H,(H2,13,16)
InChIKey
XQAPLOZSRLYHGQ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c[nH]c(c1)C(=O)N)c1ccccc1
Isomeric Smiles
c1(cc([nH]c1)C(=O)N)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
10.66753
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2831215
LogD (pH = 7.4)
1.2828987
Log P
1.2831243
Molar Refractivity
60.3482
Polarizability
22.527298
Polar Surface Area
75.95
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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