Molecule

ID:100253

General Information
Structure
MolImage
Molecular Formula
C₁₈H₈F₅NO₂
Molecular Mass
365.253636
Exact Mass
365.0475196
Charge
0
InChI
InChI=1S/C18H8F5NO2/c19-12-13(20)15(22)17(16(23)14(12)21)26-18(25)10-6-7-11(24-8-10)9-4-2-1-3-5-9/h1-8H
InChIKey
YUPUNKGUYBKZST-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(nc1)c1ccccc1)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
n1cc(ccc1c1ccccc1)C(=O)Oc1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.1629806
LogD (pH = 7.4)
5.1635866
Log P
5.1635942
Molar Refractivity
81.5502
Polarizability
31.11119
Polar Surface Area
39.19
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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