Molecule

ID:47388

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂N₃O
Molecular Mass
264.1516
Exact Mass
263.05921748
Charge
0
InChI
InChI=1S/C10H14ClN3O.ClH/c11-9-4-10(14-7-13-9)15-6-8-2-1-3-12-5-8;/h4,7-8,12H,1-3,5-6H2;1H
InChIKey
ISUWNGVCLFKSBU-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc(c1)OCC1CCCNC1.Cl
Isomeric Smiles
n1c(cc(nc1)Cl)OCC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.7652333
LogD (pH = 7.4)
-1.1076065
Log P
1.4566592
Molar Refractivity
60.2407
Polarizability
23.03116
Polar Surface Area
47.04
Rotatable Bonds
3
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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