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

Formula:C18H11NO3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C18H11NO3S
Smiles	O=C(/C=C/c1ccc(-c2nc(cccc3)c3s2)o1)c1ccco1
InChI	InChI=1S/C18H11NO3S/c20-14(15-5-3-11-21-15)9-7-12-8-10-16(22-12)18-19-13-4-1-2-6-17(13)23-18/h1-11H
InChIK	HIMBINHOUAYCOC-UHFFFAOYSA-N
TotalMolweight	321.355
Molweight	321.355
MonoisotopicMass	321.045964
CLogP	3.6044
CLogS	-4.457
H Acceptors	4
TotalSurfaceArea	245.71
Relative PSA	0.29543
PolarSurfaceArea	84.48
Druglikeness	3.2978
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Aromatic Nitrogens	1
StereoCon

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