Molecule

ID:86047

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₄O₂
Molecular Mass
286.75786
Exact Mass
286.11965355
Charge
0
InChI
InChI=1S/C12H19ClN4O2/c1-3-4-5-6-7-15-11-9(13)16-8(10(14)17-11)12(18)19-2/h3-7H2,1-2H3,(H3,14,15,17)
InChIKey
MOBUJOWLXUAPET-UHFFFAOYSA-N
Canonic Smiles
CCCCCCNc1nc(N)c(nc1Cl)C(=O)OC
Isomeric Smiles
n1c(c(nc(c1C(=O)OC)N)NCCCCCC)Cl
Calculated Properties
JChem
Acid pKa
16.003176
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
3.2472303
LogD (pH = 7.4)
3.2472534
Log P
3.2472537
Molar Refractivity
77.8604
Polarizability
28.314112
Polar Surface Area
90.13
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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