Molecule

ID:62828

General Information
Structure
Molecular Formula
C₁₁H₂₀Cl₂N₄
Molecular Mass
279.2093
Exact Mass
278.10650202
Charge
0
InChI
InChI=1S/C11H18N4.2ClH/c1-15(2)11-13-7-5-10(14-11)9-4-3-6-12-8-9;;/h5,7,9,12H,3-4,6,8H2,1-2H3;2*1H
InChIKey
BSILVSWTZBFHLA-UHFFFAOYSA-N
Canonic Smiles
CN(c1nccc(n1)C1CCCNC1)C.Cl.Cl
Isomeric Smiles
c1(nc(C2CNCCC2)ccn1)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9753729
LogD (pH = 7.4)
-1.042018
Log P
1.2274208
Molar Refractivity
61.966
Polarizability
23.285467
Polar Surface Area
41.05
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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