(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one

Formula:C25H14NO3F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
MolecularFormula	C25H14NO3F3S
Smiles	O=C(/C=C/c1ccc(-c2nc(cccc3)c3s2)o1)c1ccc(-c2cc(C(F)(F)F)ccc2)o1
InChI	InChI=1S/C25H14F3NO3S/c26-25(27,28)16-5-3-4-15(14-16)20-12-13-21(32-20)19(30)10-8-17-9-11-22(31-17)24-29-18-6-1-2-7-23(18)33-24/h1-14H
InChIK	KWPLUNWTAIXGDC-UHFFFAOYSA-N
TotalMolweight	465.45
Molweight	465.45
MonoisotopicMass	465.064648
CLogP	6.2029
CLogS	-7.013
H Acceptors	4
TotalSurfaceArea	334.93
Relative PSA	0.21673
PolarSurfaceArea	84.48
Druglikeness	-3.5897
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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