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

Formula:C21H10N2OClF3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile
MolecularFormula	C21H10N2OClF3S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1
InChI	InChI=1S/C21H10ClF3N2OS/c22-16-7-5-13(21(23,24)25)10-15(16)18-8-6-14(28-18)9-12(11-26)20-27-17-3-1-2-4-19(17)29-20/h1-10H
InChIK	PQMVWJNYKXEZHC-UHFFFAOYSA-N
TotalMolweight	430.836
Molweight	430.836
MonoisotopicMass	430.015444
CLogP	5.733
CLogS	-6.867
H Acceptors	3
TotalSurfaceArea	303.07
Relative PSA	0.19467
PolarSurfaceArea	78.06
Druglikeness	-9.0678
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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