Molecule

ID:87329

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-12-9-4-3-7(10(13)14-2)5-8(9)6-11-12/h3-6H,1-2H3
InChIKey
XTOQHQZMRMXLAT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)cnn2C
Isomeric Smiles
n1(c2ccc(cc2cn1)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.423455
LogD (pH = 7.4)
1.4234606
Log P
1.4234607
Molar Refractivity
63.3144
Polarizability
20.818968
Polar Surface Area
44.12
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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