Molecule

ID:62589

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄Cl₂N₂
Molecular Mass
221.12686
Exact Mass
220.05340382
Charge
0
InChI
InChI=1S/C9H12N2.2ClH/c1-2-6-10-8(4-1)9-5-3-7-11-9;;/h1-2,4,6,9,11H,3,5,7H2;2*1H
InChIKey
LPEKHJMFAUWFGV-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)c1ccccn1.Cl.Cl
Isomeric Smiles
N1C(c2ncccc2)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.149065
LogD (pH = 7.4)
-1.0010976
Log P
1.0131478
Molar Refractivity
43.9132
Polarizability
17.60422
Polar Surface Area
24.92
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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