2-[(Z)-2,4-dichlorobut-2-enyl]-1,1-dioxo-1,2-benzothiazol-3-one

Formula:C11H9NO3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[(Z)-2,4-dichlorobut-2-enyl]-1,1-dioxo-1,2-benzothiazol-3-one is a drug-like molecule.

MolName	2-[(Z)-2,4-dichlorobut-2-enyl]-1,1-dioxo-1,2-benzothiazol-3-one
MolecularFormula	C11H9NO3Cl2S
Smiles	O=C(c1c2cccc1)N(C/C(/Cl)=C/CCl)S2(=O)=O
InChI	InChI=1S/C11H9Cl2NO3S/c12-6-5-8(13)7-14-11(15)9-3-1-2-4-10(9)18(14,16)17/h1-5H,6-7H2
InChIK	XQMLDTZBRQNEQD-UHFFFAOYSA-N
TotalMolweight	306.168
Molweight	306.168
MonoisotopicMass	304.968018
CLogP	2.5374
CLogS	-2.825
H Acceptors	4
TotalSurfaceArea	199.46
Relative PSA	0.22646
PolarSurfaceArea	62.83
Druglikeness	3.1632
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	allyl/benzyl chloride
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	1
Amides	1
StereoCon

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1 - 2-[(Z)-2,4-dichlorobut-2-enyl]-1,1-dioxo-1,2-benzothiazol-3-one | 2 - 2-[(Z)-2,4-dichlorobut-2-enyl]-1,1-dioxo-1,2-benzothiazol-3-one

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