Molecule

ID:20722

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O₃
Molecular Mass
286.75456
Exact Mass
286.10842016
Charge
0
InChI
InChI=1S/C13H18N2O3.ClH/c1-10-7-12(4-5-13(10)15(16)17)18-9-11-3-2-6-14-8-11;/h4-5,7,11,14H,2-3,6,8-9H2,1H3;1H
InChIKey
BFLBDEIKZZEBTI-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1C)OCC1CCCNC1.Cl
Isomeric Smiles
c1(c(cc(cc1)OCC1CCCNC1)C)[N+](=O)[O-].Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.8069914
LogD (pH = 7.4)
-0.1494042
Log P
2.4148958
Molar Refractivity
69.7627
Polarizability
26.48438
Polar Surface Area
67.08
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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