Molecule

ID:47312

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O₃
Molecular Mass
258.7014
Exact Mass
258.07712003
Charge
0
InChI
InChI=1S/C11H14N2O3.ClH/c14-13(15)10-3-1-2-4-11(10)16-9-5-7-12-8-6-9;/h1-4,9,12H,5-8H2;1H
InChIKey
JGIKYGXQGXORFY-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccccc1OC1CCNCC1.Cl
Isomeric Smiles
[N+](=O)(c1c(OC2CCNCC2)cccc1)[O-].Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8080816
LogD (pH = 7.4)
-0.9637622
Log P
1.3993169
Molar Refractivity
60.0023
Polarizability
22.889708
Polar Surface Area
67.08
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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