Molecule

ID:120692

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NO₅
Molecular Mass
247.20356
Exact Mass
247.04807239
Charge
0
InChI
InChI=1S/C12H9NO5/c1-17-12-4-2-8(6-10(12)13(15)16)11-5-3-9(7-14)18-11/h2-7H,1H3
InChIKey
MFCXVGANVCTFLS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1[N+](=O)[O-])c1ccc(o1)C=O
Isomeric Smiles
[N+](=O)(c1cc(c2oc(cc2)C=O)ccc1OC)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.0955343
LogD (pH = 7.4)
2.0955343
Log P
2.0955343
Molar Refractivity
63.8345
Polarizability
24.459036
Polar Surface Area
85.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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