Molecule

ID:46719

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClF₂NO
Molecular Mass
277.7379264
Exact Mass
277.10449832
Charge
0
InChI
InChI=1S/C13H17F2NO.ClH/c14-12-2-1-11(9-13(12)15)17-8-5-10-3-6-16-7-4-10;/h1-2,9-10,16H,3-8H2;1H
InChIKey
XWLIBULRBCWUTR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1F)OCCC1CCNCC1.Cl
Isomeric Smiles
c1(cc(ccc1F)OCCC1CCNCC1)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.65963346
LogD (pH = 7.4)
-0.20324348
Log P
2.5719523
Molar Refractivity
62.6064
Polarizability
24.044714
Polar Surface Area
21.26
Rotatable Bonds
4
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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