Molecule

ID:21002

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂FNO
Molecular Mass
266.1393632
Exact Mass
265.04364765
Charge
0
InChI
InChI=1S/C11H13ClFNO.ClH/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2;1H
InChIKey
WQNCGOSHYCTGIL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)F)OC1CCNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1)Cl)F)OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0013193
LogD (pH = 7.4)
-0.15699947
Log P
2.2060792
Molar Refractivity
57.6988
Polarizability
22.570585
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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