Molecule

ID:59169

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₃
Molecular Mass
189.16748
Exact Mass
189.04259309
Charge
0
InChI
InChI=1S/C10H7NO3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,12H
InChIKey
AUIRNGLMBHIITH-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c2c1cccc2)O
Isomeric Smiles
[N+](=O)(c1c2c(c(cc1)O)cccc2)[O-]
Calculated Properties
JChem
Acid pKa
6.74041
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5750575
LogD (pH = 7.4)
1.8685677
Log P
2.5991414
Molar Refractivity
50.8096
Polarizability
20.297852
Polar Surface Area
63.37
Rotatable Bonds
1
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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