Molecule

ID:99070

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅FO₄
Molecular Mass
314.3077032
Exact Mass
314.09543718
Charge
0
InChI
InChI=1S/C18H15FO4/c1-10-13-9-12(19)5-7-14(13)23-18(20)17(10)11-4-6-15(21-2)16(8-11)22-3/h4-9H,1-3H3
InChIKey
PNMOEDQKHRDUHO-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)c1c(=O)oc2c(c1C)cc(cc2)F
Isomeric Smiles
o1c2c(cc(cc2)F)c(c(c1=O)c1ccc(c(c1)OC)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5782015
LogD (pH = 7.4)
3.5782015
Log P
3.5782015
Molar Refractivity
83.4255
Polarizability
31.909735
Polar Surface Area
44.76
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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