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

Formula:C20H11N3O3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H11N3O3S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c1ccc(-c2cc([N+]([O-])=O)ccc2)o1
InChI	InChI=1S/C20H11N3O3S/c21-12-14(20-22-17-6-1-2-7-19(17)27-20)11-16-8-9-18(26-16)13-4-3-5-15(10-13)23(24)25/h1-11H
InChIK	DUZPHPVWCMKOHP-UHFFFAOYSA-N
TotalMolweight	373.391
Molweight	373.391
MonoisotopicMass	373.052112
CLogP	3.3571
CLogS	-5.813
H Acceptors	6
TotalSurfaceArea	281.86
Relative PSA	0.31725
PolarSurfaceArea	123.88
Druglikeness	-6.9965
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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