Molecule

ID:55126

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆Cl₂N₂
Molecular Mass
223.14274
Exact Mass
222.06905388
Charge
0
InChI
InChI=1S/C9H14N2.2ClH/c1-3-8(10)9-6-7(2)4-5-11-9;;/h4-6,8H,3,10H2,1-2H3;2*1H
InChIKey
MHXRJOWTXXYKQH-UHFFFAOYSA-N
Canonic Smiles
CCC(c1nccc(c1)C)N.Cl.Cl
Isomeric Smiles
c1cnc(cc1C)C(N)CC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2932625
LogD (pH = 7.4)
0.122951746
Log P
1.5675217
Molar Refractivity
45.9114
Polarizability
18.26233
Polar Surface Area
38.91
Rotatable Bonds
2
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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