Molecule

ID:59398

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-6-4-3-5-7-8(6)11(2)10(13)9(7)12/h3-5H,1-2H3
InChIKey
UVIBNQOZLYICJH-UHFFFAOYSA-N
Canonic Smiles
O=C1N(C)c2c(C1=O)cccc2C
Isomeric Smiles
N1(C(=O)C(=O)c2c1c(ccc2)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.329031
LogD (pH = 7.4)
1.329031
Log P
1.329031
Molar Refractivity
48.6321
Polarizability
18.138561
Polar Surface Area
37.38
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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