Molecule

ID:44814

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₃
Molecular Mass
189.16748
Exact Mass
189.04259309
Charge
0
InChI
InChI=1S/C10H7NO3/c11-5-8-6-3-1-2-4-7(6)9(12)14-10(8)13/h1-5H,11H2/b8-5+
InChIKey
KLBJUTPYDVFEQT-VMPITWQZSA-N
Canonic Smiles
N/C=C\1/C(=O)OC(=O)c2c1cccc2
Isomeric Smiles
C\1(=C\N)/C(=O)OC(=O)c2c1cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9960778
LogD (pH = 7.4)
0.998499
Log P
0.99853
Molar Refractivity
49.4295
Polarizability
18.758327
Polar Surface Area
69.39
Rotatable Bonds
0
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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