Molecule

ID:72004

General Information
Structure
Molecular Formula
C₆H₁₆Cl₂N₂
Molecular Mass
187.11064
Exact Mass
186.06905388
Charge
0
InChI
InChI=1S/C6H14N2.2ClH/c1-8(2)5-6(7)3-4-6;;/h3-5,7H2,1-2H3;2*1H
InChIKey
QJGFVZLTXSTRAI-UHFFFAOYSA-N
Canonic Smiles
CN(CC1(N)CC1)C.Cl.Cl
Isomeric Smiles
C1C(C1)(CN(C)C)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.0130196
LogD (pH = 7.4)
-2.7194464
Log P
-0.21748109
Molar Refractivity
35.0387
Polarizability
14.118806
Polar Surface Area
29.26
Rotatable Bonds
2
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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