Molecule

ID:40682

General Information
Structure
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-15-11(14)10-7-9(12-13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)
InChIKey
ROXAFVODFXYSFO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1[nH]nc(c1)c1ccccc1
Isomeric Smiles
c1(cc(n[nH]1)c1ccccc1)C(=O)OC
Calculated Properties
JChem
Acid pKa
8.573321
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.233618
LogD (pH = 7.4)
2.206493
Log P
2.2339835
Molar Refractivity
56.4124
Polarizability
22.516342
Polar Surface Area
54.98
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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