Molecule

ID:85548

General Information
Structure
Molecular Formula
C₁₀H₇NO₃
Molecular Mass
189.16748
Exact Mass
189.04259309
Charge
0
InChI
InChI=1S/C10H7NO3/c1-6(12)11-9(13)7-4-2-3-5-8(7)10(11)14/h2-5H,1H3
InChIKey
INZUQGFQRYAKQQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2ccccc2C1=O)C(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.68203133
LogD (pH = 7.4)
0.68203133
Log P
0.68203133
Molar Refractivity
48.8807
Polarizability
17.946196
Polar Surface Area
54.45
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
References
Bioactivity
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