Molecule

ID:60691

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₃
Molecular Mass
189.16748
Exact Mass
189.04259309
Charge
0
InChI
InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3
InChIKey
LPGDEHBASRKTDG-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2N(C1=O)C(=O)C
Isomeric Smiles
N1(C(=O)C(=O)c2c1cccc2)C(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.58
LogD (pH = 5.5)
0.58
Log P
0.58
Rotatable Bonds
0
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
-2.94
Polar Surface Area
54.45
Polarizability
17.97
Molar Refractivity
48.26
LOG S
-2.07
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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