Molecule

ID:62769

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄Cl₂N₄O
Molecular Mass
335.27256
Exact Mass
334.13271677
Charge
0
InChI
InChI=1S/C14H22N4O.2ClH/c1-10-17-12(3-4-14(19)15-2)9-13(18-10)11-5-7-16-8-6-11;;/h9,11,16H,3-8H2,1-2H3,(H,15,19);2*1H
InChIKey
ANBOBTSGNKAYKB-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CCc1cc(nc(n1)C)C1CCNCC1.Cl.Cl
Isomeric Smiles
n1c(cc(nc1C)CCC(=O)NC)C1CCNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.594123
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.1235185
LogD (pH = 7.4)
-2.2776217
Log P
0.21131834
Molar Refractivity
74.5735
Polarizability
28.804323
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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