Molecule

ID:62821

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₄
Molecular Mass
279.2093
Exact Mass
278.10650202
Charge
0
InChI
InChI=1S/C11H18N4.2ClH/c1-15(2)11-6-10(13-8-14-11)5-9-3-4-12-7-9;;/h6,8-9,12H,3-5,7H2,1-2H3;2*1H
InChIKey
HVAGRSXHXMNBFM-UHFFFAOYSA-N
Canonic Smiles
CN(c1ncnc(c1)CC1CNCC1)C.Cl.Cl
Isomeric Smiles
c1(cc(ncn1)CC1CNCC1)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.447923
LogD (pH = 7.4)
-2.2877572
Log P
0.80917144
Molar Refractivity
62.3846
Polarizability
23.282015
Polar Surface Area
41.05
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
No Data Available
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Molecule Details
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References
Bioactivity
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