Molecule

ID:41705

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-2-14-10(13)8-7-12-6-4-3-5-9(12)11-8/h3-7H,2H2,1H3
InChIKey
GNFACXDTRBVZJE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2n(c1)cccc2
Isomeric Smiles
c1(nc2n(c1)cccc2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2930112
LogD (pH = 7.4)
1.3055227
Log P
1.3056847
Molar Refractivity
52.3383
Polarizability
19.57138
Polar Surface Area
43.6
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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