Molecule

ID:106909

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂Cl₂N₂
Molecular Mass
337.28668
Exact Mass
336.11600407
Charge
0
InChI
InChI=1S/C18H21ClN2.ClH/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16;/h2-10,18H,11-14H2,1H3;1H
InChIKey
MSIJLVMSKDXAQN-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1.Cl
Isomeric Smiles
Cl.CN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6866273
LogD (pH = 7.4)
3.4505215
Log P
4.150047
Molar Refractivity
89.7384
Polarizability
35.180374
Polar Surface Area
6.48
Rotatable Bonds
3
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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