Molecule

ID:103922

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉Cl₂N
Molecular Mass
248.19196
Exact Mass
247.08945497
Charge
0
InChI
InChI=1S/C12H18ClN.ClH/c1-3-14(9-8-13)10-12-7-5-4-6-11(12)2;/h4-7H,3,8-10H2,1-2H3;1H
InChIKey
GAAOKTBHSXYRNH-UHFFFAOYSA-N
Canonic Smiles
ClCCN(Cc1ccccc1C)CC.Cl
Isomeric Smiles
Cl.CCN(CCCl)Cc1ccccc1C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.84800535
LogD (pH = 7.4)
2.6216693
Log P
3.4493618
Molar Refractivity
63.7338
Polarizability
24.649
Polar Surface Area
3.24
Rotatable Bonds
5
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
References
Bioactivity
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