Molecule

ID:62777

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄Cl₂N₄O
Molecular Mass
335.27256
Exact Mass
334.13271677
Charge
0
InChI
InChI=1S/C14H22N4O.2ClH/c1-10-8-12(5-6-13(19)15-2)18-14(17-10)11-4-3-7-16-9-11;;/h8,11,16H,3-7,9H2,1-2H3,(H,15,19);2*1H
InChIKey
CQTKYAXCSDDCIC-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CCc1cc(C)nc(n1)C1CCCNC1.Cl.Cl
Isomeric Smiles
c1(nc(cc(n1)C)CCC(=O)NC)C1CNCCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.532085
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.9195223
LogD (pH = 7.4)
-1.7180367
Log P
0.35725796
Molar Refractivity
74.4195
Polarizability
28.804182
Polar Surface Area
66.91
Rotatable Bonds
4
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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