(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C23H13N3OS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C23H13N3OS2
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=C\c1ccc(-c2nc(cccc3)c3s2)o1
InChI	InChI=1S/C23H13N3OS2/c24-13-16(22-26-19(14-28-22)15-6-2-1-3-7-15)12-17-10-11-20(27-17)23-25-18-8-4-5-9-21(18)29-23/h1-12,14H
InChIK	GQVCQPJCBCDGEF-UHFFFAOYSA-N
TotalMolweight	411.508
Molweight	411.508
MonoisotopicMass	411.050002
CLogP	5.0248
CLogS	-5.372
H Acceptors	4
TotalSurfaceArea	312.65
Relative PSA	0.28892
PolarSurfaceArea	119.19
Druglikeness	-0.71337
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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