Molecule

ID:44151

General Information
Structure
Molecular Formula
C₁₀H₁₁ClN₂O₃
Molecular Mass
242.65894
Exact Mass
242.0458199
Charge
0
InChI
InChI=1S/C10H11ClN2O3/c11-8-1-2-9(13(14)15)10(7-8)12-3-5-16-6-4-12/h1-2,7H,3-6H2
InChIKey
BDBMOQCOLZWAIO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]
Isomeric Smiles
c1cc(cc(c1[N+](=O)[O-])N1CCOCC1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4068182
LogD (pH = 7.4)
2.4068182
Log P
2.4068182
Molar Refractivity
61.6906
Polarizability
22.640856
Polar Surface Area
58.29
Rotatable Bonds
2
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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