Molecule

ID:88538

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₅
Molecular Mass
240.21268
Exact Mass
240.07462149
Charge
0
InChI
InChI=1S/C10H12N2O5/c1-7(14)11-8-2-3-10(17-5-4-13)9(6-8)12(15)16/h2-3,6,13H,4-5H2,1H3,(H,11,14)
InChIKey
BKDUSJRNVDOBMP-UHFFFAOYSA-N
Canonic Smiles
OCCOc1ccc(cc1[N+](=O)[O-])NC(=O)C
Isomeric Smiles
O(c1c(cc(cc1)NC(=O)C)[N+](=O)[O-])CCO
Calculated Properties
JChem
Acid pKa
14.106349
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.3031671
LogD (pH = 7.4)
0.30316702
Log P
0.3031671
Molar Refractivity
61.0012
Polarizability
22.19479
Polar Surface Area
104.38
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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