Molecule

ID:9992

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₄
Molecular Mass
205.16688
Exact Mass
205.03750771
Charge
0
InChI
InChI=1S/C10H7NO4/c1-6(12)10-5-7-4-8(11(13)14)2-3-9(7)15-10/h2-5H,1H3
InChIKey
RMXFQPLULZFJMH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cc2c(o1)ccc(c2)[N+](=O)[O-]
Isomeric Smiles
c1(cc2c(o1)ccc(c2)[N+](=O)[O-])C(=O)C
Calculated Properties
JChem
Acid pKa
14.150577
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5500021
LogD (pH = 7.4)
1.550002
Log P
1.5500021
Molar Refractivity
51.4999
Polarizability
20.336313
Polar Surface Area
73.35
Rotatable Bonds
2
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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