Molecule

ID:16050

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈Cl₂N₂O
Molecular Mass
289.20082
Exact Mass
288.07961857
Charge
0
InChI
InChI=1S/C13H17ClN2O.ClH/c14-10-13(17)16-8-6-15(7-9-16)11-12-4-2-1-3-5-12;/h1-5H,6-11H2;1H
InChIKey
BLUWTCAQSQQYSH-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCN(CC1)Cc1ccccc1.Cl
Isomeric Smiles
N1(C(=O)CCl)CCN(Cc2ccccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5357744
LogD (pH = 7.4)
1.4803627
Log P
1.5260003
Molar Refractivity
69.6752
Polarizability
27.042253
Polar Surface Area
23.55
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
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References
Bioactivity
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