Molecule

ID:56072

General Information
Structure
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-5-3-4-6(2)8-7(5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13)
InChIKey
VYRDPBOVRAVNKT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c2c1C(=O)C(=O)N2)C
Isomeric Smiles
N1c2c(ccc(C)c2C(=O)C1=O)C
Calculated Properties
JChem
Acid pKa
8.970176
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6282465
LogD (pH = 7.4)
2.617438
Log P
2.6283863
Molar Refractivity
50.5574
Polarizability
18.064568
Polar Surface Area
46.17
Rotatable Bonds
0
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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