Molecule

ID:17261

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c14-11(15)10-4-2-1-3-9(10)7-13-6-5-12-8-13/h1-6,8H,7H2,(H,14,15)
InChIKey
RXCZMOPOWGKAPK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1Cn1cncc1
Isomeric Smiles
c1(c(cccc1)C(=O)O)Cn1ccnc1
Calculated Properties
JChem
Acid pKa
3.701723
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.624314
LogD (pH = 7.4)
-0.08985519
Log P
0.6497663
Molar Refractivity
55.7783
Polarizability
20.831633
Polar Surface Area
55.12
Rotatable Bonds
3
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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