Molecule

ID:33107

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂Cl₂N₂
Molecular Mass
195.08958
Exact Mass
194.03775375
Charge
0
InChI
InChI=1S/C7H11ClN2.ClH/c1-2-7-9-4-6-10(7)5-3-8;/h4,6H,2-3,5H2,1H3;1H
InChIKey
VOFQBWCNJRXGPN-UHFFFAOYSA-N
Canonic Smiles
ClCCn1ccnc1CC.Cl
Isomeric Smiles
n1(c(ncc1)CC)CCCl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.57343566
LogD (pH = 7.4)
1.3713585
Log P
1.5665423
Molar Refractivity
42.3204
Polarizability
16.182636
Polar Surface Area
17.82
Rotatable Bonds
3
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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