Molecule

ID:46877

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆Cl₃NO
Molecular Mass
332.65264
Exact Mass
331.02974718
Charge
0
InChI
InChI=1S/C15H15Cl2NO.ClH/c16-13-9-14(17)15(12-4-2-1-3-11(12)13)19-10-5-7-18-8-6-10;/h1-4,9-10,18H,5-8H2;1H
InChIKey
MNOMHHAJMBQHHC-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1OC1CCNCC1)cccc2.Cl
Isomeric Smiles
c1(c2c(c(cc1Cl)Cl)cccc2)OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.44950023
LogD (pH = 7.4)
1.2938197
Log P
3.6568987
Molar Refractivity
78.7374
Polarizability
32.269413
Polar Surface Area
21.26
Rotatable Bonds
2
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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