Molecule

ID:12495

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKey
SMGBDFGKVGSCGB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1c(C)nc2c1cccc2
Isomeric Smiles
n1(c(nc2c1cccc2)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.057251
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.50118685
LogD (pH = 7.4)
-1.6032484
Log P
-0.44173867
Molar Refractivity
50.3905
Polarizability
20.594137
Polar Surface Area
55.12
Rotatable Bonds
2
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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