Molecule

ID:55023

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClF₅NO
Molecular Mass
277.618876
Exact Mass
277.02928269
Charge
0
InChI
InChI=1S/C9H8F5NO.ClH/c10-4-5(11)7(13)9(8(14)6(4)12)16-3-1-2-15;/h1-3,15H2;1H
InChIKey
IUOSIBWAENQBJL-UHFFFAOYSA-N
Canonic Smiles
NCCCOc1c(F)c(F)c(c(c1F)F)F.Cl
Isomeric Smiles
c1(c(c(c(c(c1F)OCCCN)F)F)F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2242641
LogD (pH = 7.4)
-0.62588173
Log P
1.7920601
Molar Refractivity
46.4184
Polarizability
17.078653
Polar Surface Area
35.25
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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