Molecule

ID:47398

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClN₃O₃
Molecular Mass
273.71604
Exact Mass
273.08801907
Charge
0
InChI
InChI=1S/C11H15N3O3.ClH/c15-14(16)10-3-4-11(13-7-10)17-8-9-2-1-5-12-6-9;/h3-4,7,9,12H,1-2,5-6,8H2;1H
InChIKey
FPXVMYSSMWIBRS-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(nc1)OCC1CCCNC1.Cl
Isomeric Smiles
[N+](=O)(c1cnc(OCC2CNCCC2)cc1)[O-].Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.9436258
LogD (pH = 7.4)
-1.2860062
Log P
1.2782595
Molar Refractivity
62.8781
Polarizability
23.861717
Polar Surface Area
79.97
Rotatable Bonds
4
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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