2-[(E)-2-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-6-nitro-1,3-benzothiazole

Formula:C17H10N2O4F4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-6-nitro-1,3-benzothiazole is a drug-like molecule.

MolName	2-[(E)-2-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-6-nitro-1,3-benzothiazole
MolecularFormula	C17H10N2O4F4S
Smiles	[O-][N+](c(cc1)cc2c1nc(/C=C/c(ccc(OC(F)F)c1)c1OC(F)F)s2)=O
InChI	InChI=1S/C17H10F4N2O4S/c18-16(19)26-11-4-1-9(13(8-11)27-17(20)21)2-6-15-22-12-5-3-10(23(24)25)7-14(12)28-15/h1-8,16-17H
InChIK	DYMKROBQXFUWED-UHFFFAOYSA-N
TotalMolweight	414.334
Molweight	414.334
MonoisotopicMass	414.02974
CLogP	3.291
CLogS	-5.72
H Acceptors	6
TotalSurfaceArea	282.89
Relative PSA	0.28898
PolarSurfaceArea	105.41
Druglikeness	-7.0461
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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