(E)-1-(4-bromophenyl)-3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one

Formula:C18H12O2Br2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-bromophenyl)-3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-bromophenyl)-3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
MolecularFormula	C18H12O2Br2S
Smiles	O=C(/C=C/S/C=C/C(c(cc1)ccc1Br)=O)c(cc1)ccc1Br
InChI	InChI=1S/C18H12Br2O2S/c19-15-5-1-13(2-6-15)17(21)9-11-23-12-10-18(22)14-3-7-16(20)8-4-14/h1-12H
InChIK	JLHVCFNFWVYAGK-UHFFFAOYSA-N
TotalMolweight	452.165
Molweight	452.165
MonoisotopicMass	449.892472
CLogP	4.5068
CLogS	-6.323
H Acceptors	2
TotalSurfaceArea	276.27
Relative PSA	0.15771
PolarSurfaceArea	59.44
Druglikeness	-1.456
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.73913
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	13
StereoCon

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