Molecule

ID:55642

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂Cl₂N₂
Molecular Mass
195.08958
Exact Mass
194.03775375
Charge
0
InChI
InChI=1S/C7H11ClN2.ClH/c1-5-6(2)10(3)7(4-8)9-5;/h4H2,1-3H3;1H
InChIKey
UWYUVMBLGWJBPQ-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc(c(n1C)C)C.Cl
Isomeric Smiles
n1c(n(c(c1C)C)C)CCl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.20257775
LogD (pH = 7.4)
1.0289798
Log P
1.0697919
Molar Refractivity
42.8446
Polarizability
16.108522
Polar Surface Area
17.82
Rotatable Bonds
1
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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