Molecule

ID:46134

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆Cl₃NO
Molecular Mass
332.65264
Exact Mass
331.02974718
Charge
0
InChI
InChI=1S/C15H15Cl2NO.ClH/c16-13-7-14(17)15(12-4-2-1-3-11(12)13)19-9-10-5-6-18-8-10;/h1-4,7,10,18H,5-6,8-9H2;1H
InChIKey
UFJCXAKLSIDQSF-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1OCC1CNCC1)cccc2.Cl
Isomeric Smiles
c1(c2c(c(cc1Cl)Cl)cccc2)OCC1CNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.47491455
LogD (pH = 7.4)
0.63352466
Log P
3.7144876
Molar Refractivity
78.8556
Polarizability
32.269382
Polar Surface Area
21.26
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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