Molecule

ID:62994

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃Cl₃N₄
Molecular Mass
329.69682
Exact Mass
328.0988298
Charge
0
InChI
InChI=1S/C12H20N4.3ClH/c1-9-14-11(7-12(15-9)16(2)3)10-5-4-6-13-8-10;;;/h7,10,13H,4-6,8H2,1-3H3;3*1H
InChIKey
XDULKOWBDNCCMZ-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(cc(n1)N(C)C)C1CCCNC1.Cl.Cl.Cl
Isomeric Smiles
c1(nc(nc(c1)C1CNCCC1)C)N(C)C.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.6982975
LogD (pH = 7.4)
-0.5223716
Log P
1.746399
Molar Refractivity
66.9579
Polarizability
25.046547
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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