Molecule

ID:46454

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₃NO
Molecular Mass
282.59396
Exact Mass
281.01409711
Charge
0
InChI
InChI=1S/C11H13Cl2NO.ClH/c12-9-2-1-3-10(11(9)13)15-7-8-4-5-14-6-8;/h1-3,8,14H,4-7H2;1H
InChIKey
UAJVDSXENGAHQM-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1Cl)OCC1CNCC1.Cl
Isomeric Smiles
c1(c(OCC2CNCC2)cccc1Cl)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5145622
LogD (pH = 7.4)
-0.35595217
Log P
2.7250109
Molar Refractivity
62.4054
Polarizability
24.813969
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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