Molecule

ID:65747

General Information
Structure
Molecular Formula
C₁₀H₁₂Cl₃N₃O
Molecular Mass
296.58078
Exact Mass
295.00459506
Charge
0
InChI
InChI=1S/C10H12Cl3N3O/c11-2-1-7-8(12)14-10(15-9(7)13)16-3-5-17-6-4-16/h1-6H2
InChIKey
PUTVNEMQQZJURT-UHFFFAOYSA-N
Canonic Smiles
ClCCc1c(Cl)nc(nc1Cl)N1CCOCC1
Isomeric Smiles
C1CN(CCO1)c1nc(c(c(n1)Cl)CCCl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1424103
LogD (pH = 7.4)
3.142412
Log P
3.142412
Molar Refractivity
72.5255
Polarizability
26.505264
Polar Surface Area
38.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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