Molecule

ID:72018

General Information
Structure
Molecular Formula
C₆H₁₀Cl₂N₂
Molecular Mass
181.063
Exact Mass
180.02210369
Charge
0
InChI
InChI=1S/C6H9ClN2.ClH/c1-5-6(3-7)4-8-9(5)2;/h4H,3H2,1-2H3;1H
InChIKey
RGBJSMVONAQCKH-UHFFFAOYSA-N
Canonic Smiles
ClCc1cnn(c1C)C.Cl
Isomeric Smiles
n1(c(c(cn1)CCl)C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1876704
LogD (pH = 7.4)
1.1879063
Log P
1.1879092
Molar Refractivity
49.978
Polarizability
14.341573
Polar Surface Area
17.82
Rotatable Bonds
1
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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