Molecule

ID:55842

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀Cl₂N₄
Molecular Mass
267.1986
Exact Mass
266.10650202
Charge
0
InChI
InChI=1S/C10H18N4.2ClH/c1-8(2)14-7-12-13-10(14)9-3-5-11-6-4-9;;/h7-9,11H,3-6H2,1-2H3;2*1H
InChIKey
VETFLMZSJIMTIU-UHFFFAOYSA-N
Canonic Smiles
CC(n1cnnc1C1CCNCC1)C.Cl.Cl
Isomeric Smiles
C1NCCC(C1)c1n(cnn1)C(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0992308
LogD (pH = 7.4)
-2.364954
Log P
0.118025795
Molar Refractivity
58.1654
Polarizability
21.632353
Polar Surface Area
42.74
Rotatable Bonds
2
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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