Molecule

ID:48265

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₅
Molecular Mass
240.21268
Exact Mass
240.07462149
Charge
0
InChI
InChI=1S/C10H12N2O5/c1-11(4-5-13)8-3-2-7(10(14)15)6-9(8)12(16)17/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChIKey
NZUMAQVTZREWLP-UHFFFAOYSA-N
Canonic Smiles
OCCN(c1ccc(cc1[N+](=O)[O-])C(=O)O)C
Isomeric Smiles
c1([N+](=O)[O-])c(ccc(c1)C(=O)O)N(CCO)C
Calculated Properties
JChem
Acid pKa
4.344291
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-0.19445327
LogD (pH = 7.4)
-1.9415548
Log P
0.98875475
Molar Refractivity
61.3598
Polarizability
21.962563
Polar Surface Area
106.59
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
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Molecule Details
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References
Bioactivity
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