2-[(E)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzothiazole

Formula:C19H12N2O3S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(E)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzothiazole is a drug-like molecule.

MolName	2-[(E)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzothiazole
MolecularFormula	C19H12N2O3S
Smiles	[O-][N+](c1cccc(-c2ccc(/C=C/c3nc(cccc4)c4s3)o2)c1)=O
InChI	InChI=1S/C19H12N2O3S/c22-21(23)14-5-3-4-13(12-14)17-10-8-15(24-17)9-11-19-20-16-6-1-2-7-18(16)25-19/h1-12H
InChIK	HRPOLANWQSUMNJ-UHFFFAOYSA-N
TotalMolweight	348.381
Molweight	348.381
MonoisotopicMass	348.056863
CLogP	3.8911
CLogS	-5.936
H Acceptors	5
TotalSurfaceArea	261.94
Relative PSA	0.28961
PolarSurfaceArea	100.09
Druglikeness	-2.7708
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
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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