Molecule

ID:55294

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂N
Molecular Mass
260.20266
Exact Mass
259.08945497
Charge
0
InChI
InChI=1S/C13H18ClN.ClH/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13;/h1-5,12H,6-11H2;1H
InChIKey
PUDJPTGBAQJTQT-UHFFFAOYSA-N
Canonic Smiles
ClCC1CCN(CC1)Cc1ccccc1.Cl
Isomeric Smiles
C1CN(CCC1CCl)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.014180982
LogD (pH = 7.4)
1.6743636
Log P
3.0478947
Molar Refractivity
66.194
Polarizability
25.837227
Polar Surface Area
3.24
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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