Molecule

ID:85175

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀Cl₂N₂O₂
Molecular Mass
213.0618
Exact Mass
212.01193293
Charge
0
InChI
InChI=1S/C6H10Cl2N2O2/c7-3-5(11)9-1-2-10-6(12)4-8/h1-4H2,(H,9,11)(H,10,12)
InChIKey
BQUBHNCENTUVMP-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NCCNC(=O)CCl
Isomeric Smiles
O=C(NCCNC(=O)CCl)CCl
Calculated Properties
JChem
Acid pKa
11.91761
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.71006197
LogD (pH = 7.4)
-0.71007353
Log P
-0.71006185
Molar Refractivity
46.2626
Polarizability
18.0967
Polar Surface Area
58.2
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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