(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one

Formula:C19H11O2Cl2F Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
MolecularFormulaC19H11O2Cl2F
SmilesO=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c(cc1)ccc1F
InChIInChI=1S/C19H11Cl2FO2/c20-14-9-13(10-15(21)11-14)19-8-6-17(24-19)5-7-18(23)12-1-3-16(22)4-2-12/h1-11H
InChIKBWCSKTKSFNWKBX-UHFFFAOYSA-N
TotalMolweight361.198
Molweight361.198
MonoisotopicMass360.012012
CLogP5.5555
CLogS-7.086
H Acceptors2
TotalSurfaceArea263.91
Relative PSA0.10288
PolarSurfaceArea30.21
Druglikeness0.48304
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.625
Fragments1
Non HAtoms24
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Symmetricatoms5
StereoCon

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