Molecule

ID:46876

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆Cl₃NO
Molecular Mass
332.65264
Exact Mass
331.02974718
Charge
0
InChI
InChI=1S/C15H15Cl2NO.ClH/c16-13-8-14(17)15(12-6-2-1-5-11(12)13)19-10-4-3-7-18-9-10;/h1-2,5-6,8,10,18H,3-4,7,9H2;1H
InChIKey
FZRGFUFVYGTZEU-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1OC1CCCNC1)cccc2.Cl
Isomeric Smiles
c1(c2c(c(cc1Cl)Cl)cccc2)OC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9570483
LogD (pH = 7.4)
2.1264994
Log P
4.1143017
Molar Refractivity
78.5166
Polarizability
32.26943
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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