Molecule

ID:84214

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₄O
Molecular Mass
289.16106
Exact Mass
288.05446645
Charge
0
InChI
InChI=1S/C11H14Cl2N4O/c12-9-6-8(7-10(13)15-9)14-11(18)16-17-4-2-1-3-5-17/h6-7H,1-5H2,(H2,14,15,16,18)
InChIKey
FXUKFAZSWYKGRQ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(Cl)nc(c1)Cl)NN1CCCCC1
Isomeric Smiles
n1c(cc(cc1Cl)NC(=O)NN1CCCCC1)Cl
Calculated Properties
JChem
Acid pKa
11.907702
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0278065
LogD (pH = 7.4)
2.0278292
Log P
2.0278425
Molar Refractivity
74.4084
Polarizability
27.476248
Polar Surface Area
57.26
Rotatable Bonds
2
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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