Molecule

ID:76088

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄Cl₂N₂
Molecular Mass
209.11616
Exact Mass
208.05340382
Charge
0
InChI
InChI=1S/C8H12N2.2ClH/c1-9-6-4-8-3-2-5-10-7-8;;/h2-3,5,7,9H,4,6H2,1H3;2*1H
InChIKey
LPNPZPFIFWNIMQ-UHFFFAOYSA-N
Canonic Smiles
CNCCc1cccnc1.Cl.Cl
Isomeric Smiles
n1cccc(c1)CCNC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6174426
LogD (pH = 7.4)
-1.8570777
Log P
0.6025834
Molar Refractivity
41.9041
Polarizability
16.419964
Polar Surface Area
24.92
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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