Molecule

ID:69582

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆Cl₂N₂
Molecular Mass
187.11064
Exact Mass
186.06905388
Charge
0
InChI
InChI=1S/C6H14N2.2ClH/c1-8(2)6-3-4-7-5-6;;/h6-7H,3-5H2,1-2H3;2*1H/t6-;;/m1../s1
InChIKey
LCPKWRSLMCUOOZ-QYCVXMPOSA-N
Canonic Smiles
CN([C@H]1CNCC1)C.Cl.Cl
Isomeric Smiles
N([C@H]1CNCC1)(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.6740437
LogD (pH = 7.4)
-3.3091161
Log P
-0.22603208
Molar Refractivity
35.2791
Polarizability
14.118806
Polar Surface Area
15.27
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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