Molecule

ID:81850

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₃
Molecular Mass
189.16748
Exact Mass
189.04259309
Charge
0
InChI
InChI=1S/C10H7NO3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H
InChIKey
MUCCHGOWMZTLHK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c(c1O)cccc2
Isomeric Smiles
[N+](=O)(c1c(c2ccccc2cc1)O)[O-]
Calculated Properties
JChem
Acid pKa
6.288529
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.534333
LogD (pH = 7.4)
1.5056164
Log P
2.5991414
Molar Refractivity
50.8096
Polarizability
20.295597
Polar Surface Area
63.37
Rotatable Bonds
1
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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