[4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-fluorobenzoate

Formula:C20H12O3BrFS Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-fluorobenzoate is not a drug-like molecule.

MolName	[4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-fluorobenzoate
MolecularFormula	C20H12O3BrFS
Smiles	O=C(/C=C/c1cccs1)c(cc(cc1)Br)c1OC(c(cc1)ccc1F)=O
InChI	InChI=1S/C20H12BrFO3S/c21-14-5-10-19(25-20(24)13-3-6-15(22)7-4-13)17(12-14)18(23)9-8-16-2-1-11-26-16/h1-12H
InChIK	XXYCLQLOGZYENR-UHFFFAOYSA-N
TotalMolweight	431.28
Molweight	431.28
MonoisotopicMass	429.967454
CLogP	5.4269
CLogS	-6.468
H Acceptors	3
TotalSurfaceArea	285.7
Relative PSA	0.19755
PolarSurfaceArea	71.61
Druglikeness	-0.79187
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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