Molecule

ID:66866

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆Cl₂N₂
Molecular Mass
199.12134
Exact Mass
198.06905388
Charge
0
InChI
InChI=1S/C7H14N2.2ClH/c1-9-4-6-2-3-7(5-9)8-6;;/h6-8H,2-5H2,1H3;2*1H
InChIKey
CFPCKNVBSYLJHT-UHFFFAOYSA-N
Canonic Smiles
CN1CC2CCC(C1)N2.Cl.Cl
Isomeric Smiles
C12CN(CC(CC1)N2)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0528932
LogD (pH = 7.4)
-2.4990132
Log P
0.17957272
Molar Refractivity
37.6249
Polarizability
15.227027
Polar Surface Area
15.27
Rotatable Bonds
0
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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