Molecule
ID:124109
General Information
Molecular Formula
C₁₂H₁₁Cl₂N₃O
Molecular Mass
284.14124
Exact Mass
283.02791735
Charge
0
InChI
InChI=1S/C12H11Cl2N3O/c13-11-12(14)17(8-16-11)7-10(18)15-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,18)
InChIKey
MEPMNZKUUKDZSE-UHFFFAOYSA-N
Canonic Smiles
O=C(Cn1cnc(c1Cl)Cl)NCc1ccccc1
Isomeric Smiles
n1(c(c(nc1)Cl)Cl)CC(=O)NCc1ccccc1
Calculated Properties
JChem
Acid pKa
13.030428
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8395215
LogD (pH = 7.4)
1.8409004
Log P
1.8409189
Molar Refractivity
71.9976
Polarizability
27.401094
Polar Surface Area
46.92
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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