Molecule

ID:42801

General Information
Structure
Molecular Formula
C₁₀H₁₁NO₅
Molecular Mass
225.19804
Exact Mass
225.06372246
Charge
0
InChI
InChI=1S/C10H11NO5/c1-15-9-4-3-7(6-10(12)16-2)5-8(9)11(13)14/h3-5H,6H2,1-2H3
InChIKey
HAFCSCBORMDMFL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccc(c(c1)[N+](=O)[O-])OC
Isomeric Smiles
[N+](=O)(c1c(ccc(c1)CC(=O)OC)OC)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5392011
LogD (pH = 7.4)
1.5392011
Log P
1.5392011
Molar Refractivity
55.9226
Polarizability
21.10588
Polar Surface Area
81.35
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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