Molecule

ID:62882

General Information
Structure
Molecular Formula
C₁₁H₂₀Cl₂N₄
Molecular Mass
279.2093
Exact Mass
278.10650202
Charge
0
InChI
InChI=1S/C11H18N4.2ClH/c1-12-11-7-10(14-8-15-11)6-9-2-4-13-5-3-9;;/h7-9,13H,2-6H2,1H3,(H,12,14,15);2*1H
InChIKey
ASGBTPKSMPOZNT-UHFFFAOYSA-N
Canonic Smiles
CNc1ncnc(c1)CC1CCNCC1.Cl.Cl
Isomeric Smiles
n1c(cc(nc1)CC1CCNCC1)NC.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.1973417
LogD (pH = 7.4)
-2.2462974
Log P
0.54052067
Molar Refractivity
62.8278
Polarizability
23.282495
Polar Surface Area
49.84
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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