Molecule

ID:100256

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₃F₅O₄
Molecular Mass
388.285436
Exact Mass
388.0734
Charge
0
InChI
InChI=1S/C18H13F5O4/c19-12-13(20)15(22)17(16(23)14(12)21)27-18(24)9-1-3-10(4-2-9)26-11-5-7-25-8-6-11/h1-4,11H,5-8H2
InChIKey
BDWCEFHYQPZQRO-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)OC1CCOCC1)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
O(c1c(c(c(c(c1F)F)F)F)F)C(=O)c1ccc(cc1)OC1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.1517057
LogD (pH = 7.4)
4.1517057
Log P
4.1517057
Molar Refractivity
83.8816
Polarizability
31.214252
Polar Surface Area
44.76
Rotatable Bonds
5
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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