Molecule

ID:47394

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂N₃O
Molecular Mass
264.1516
Exact Mass
263.05921748
Charge
0
InChI
InChI=1S/C10H14ClN3O.ClH/c11-9-5-13-6-10(14-9)15-7-8-1-3-12-4-2-8;/h5-6,8,12H,1-4,7H2;1H
InChIKey
DAWOHUWWWPSERK-UHFFFAOYSA-N
Canonic Smiles
Clc1cncc(n1)OCC1CCNCC1.Cl
Isomeric Smiles
n1c(OCC2CCNCC2)cncc1Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3281531
LogD (pH = 7.4)
-1.8673817
Log P
0.90326804
Molar Refractivity
59.3614
Polarizability
23.042833
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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