Molecule

ID:83047

General Information
Structure
Molecular Formula
C₁₁H₁₀Cl₂N₄O
Molecular Mass
285.1293
Exact Mass
284.02316632
Charge
0
InChI
InChI=1S/C11H10Cl2N4O/c12-6-5-11-14-15-16-17(11)7-10(18)8-1-3-9(13)4-2-8/h1-4H,5-7H2
InChIKey
HEFKMPZDYIWXJV-UHFFFAOYSA-N
Canonic Smiles
ClCCc1nnnn1CC(=O)c1ccc(cc1)Cl
Isomeric Smiles
n1(nnnc1CCCl)CC(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
14.327498
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.0863998
LogD (pH = 7.4)
2.0864
Log P
2.0864
Molar Refractivity
82.1344
Polarizability
26.146173
Polar Surface Area
60.67
Rotatable Bonds
5
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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