Molecule

ID:10125

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₄
Molecular Mass
205.16688
Exact Mass
205.03750771
Charge
0
InChI
InChI=1S/C10H7NO4/c1-6-4-7-5-8(11(13)14)2-3-9(7)15-10(6)12/h2-5H,1H3
InChIKey
PWANMOIIIMORBV-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2cc(ccc2oc1=O)[N+](=O)[O-]
Isomeric Smiles
c1(ccc2c(c1)cc(c(=O)o2)C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1188943
LogD (pH = 7.4)
2.1188943
Log P
2.1188943
Molar Refractivity
53.2304
Polarizability
19.463854
Polar Surface Area
72.12
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
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References
Bioactivity
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