Molecule

ID:31969

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-7-8(6-10(13)14)12-5-3-2-4-9(12)11-7/h2-5H,6H2,1H3,(H,13,14)
InChIKey
CPGQJEFOEJTDBQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1c(C)nc2n1cccc2
Isomeric Smiles
n12c(c(nc1cccc2)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.0390835
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2291322
LogD (pH = 7.4)
-2.236653
Log P
-1.1819228
Molar Refractivity
51.713
Polarizability
19.263817
Polar Surface Area
54.6
Rotatable Bonds
2
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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