Molecule
ID:31015
General Information
Molecular Formula
C₁₁H₈N₂O₂
Molecular Mass
200.19342
Exact Mass
200.05857751
Charge
0
InChI
InChI=1S/C11H8N2O2/c14-11(15)9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChIKey
BOAIYSRFGWBZCF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnc(nc1)c1ccccc1
Isomeric Smiles
c1(C(=O)O)cnc(nc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.8356552
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.3012807
LogD (pH = 7.4)
-1.3065507
Log P
1.9701653
Molar Refractivity
65.3896
Polarizability
21.143246
Polar Surface Area
63.08
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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