Molecule

ID:75317

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂Cl₂N₂O
Molecular Mass
199.07828
Exact Mass
198.03266837
Charge
0
InChI
InChI=1S/C6H11ClN2O.ClH/c1-8-2-4-9(5-3-8)6(7)10;/h2-5H2,1H3;1H
InChIKey
WICNYNXYKZNNSN-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=O)Cl.Cl
Isomeric Smiles
N1(C)CCN(CC1)C(=O)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.50939995
LogD (pH = 7.4)
0.24420446
Log P
0.2709101
Molar Refractivity
41.0224
Polarizability
15.705497
Polar Surface Area
23.55
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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