Molecule

ID:50408

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈Cl₂N₂
Molecular Mass
201.13722
Exact Mass
200.08470395
Charge
0
InChI
InChI=1S/C7H16N2.2ClH/c1-3-9(4-2)7-5-8-6-7;;/h7-8H,3-6H2,1-2H3;2*1H
InChIKey
JEKVHMVVZYZMMR-UHFFFAOYSA-N
Canonic Smiles
CCN(C1CNC1)CC.Cl.Cl
Isomeric Smiles
C1C(CN1)N(CC)CC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7760465
LogD (pH = 7.4)
-1.6923133
Log P
0.42762408
Molar Refractivity
39.9109
Polarizability
15.965017
Polar Surface Area
15.27
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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