Molecule

ID:46554

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₃NO
Molecular Mass
282.59396
Exact Mass
281.01409711
Charge
0
InChI
InChI=1S/C11H13Cl2NO.ClH/c12-10-2-1-9(5-11(10)13)15-7-8-3-4-14-6-8;/h1-2,5,8,14H,3-4,6-7H2;1H
InChIKey
YIHTZADULYBTSS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1Cl)OCC1CNCC1.Cl
Isomeric Smiles
c1(cc(OCC2CNCC2)ccc1Cl)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5145622
LogD (pH = 7.4)
-0.3559523
Log P
2.7250109
Molar Refractivity
62.4054
Polarizability
24.78976
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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