Molecule

ID:69461

General Information
Structure
Molecular Formula
C₇H₃NO₃
Molecular Mass
149.10362
Exact Mass
149.01129296
Charge
0
InChI
InChI=1S/C7H3NO3/c9-6-4-2-1-3-8-5(4)7(10)11-6/h1-3H
InChIKey
MCQOWYALZVKMAR-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)c2c1nccc2
Isomeric Smiles
c12c(cccn1)C(=O)OC2=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.59075785
LogD (pH = 7.4)
0.5907615
Log P
0.59076154
Molar Refractivity
34.8361
Polarizability
13.27494
Polar Surface Area
56.26
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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