Molecule

ID:55421

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄Cl₂N₄O
Molecular Mass
335.27256
Exact Mass
334.13271677
Charge
0
InChI
InChI=1S/C14H22N4O.2ClH/c1-14(2)7-11(15)10-9-16-13(17-12(10)8-14)18-3-5-19-6-4-18;;/h9,11H,3-8,15H2,1-2H3;2*1H
InChIKey
NXALIWSUXWOYGQ-UHFFFAOYSA-N
Canonic Smiles
NC1CC(C)(C)Cc2c1cnc(n2)N1CCOCC1.Cl.Cl
Isomeric Smiles
C1C(Cc2c(C1N)cnc(n2)N1CCOCC1)(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.7642926
LogD (pH = 7.4)
-0.63971573
Log P
1.1936084
Molar Refractivity
75.4265
Polarizability
28.77329
Polar Surface Area
64.27
Rotatable Bonds
1
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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