2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl (E)-3-(3-chlorophenyl)prop-2-enoate

Formula:C24H19N2O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl (E)-3-(3-chlorophenyl)prop-2-enoate is not a drug-like molecule.

MolName	2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl (E)-3-(3-chlorophenyl)prop-2-enoate
MolecularFormula	C24H19N2O4ClS
Smiles	O=C(/C=C/c1cccc(Cl)c1)OCCN(C(c1c2cccc1)=NS2(=O)=O)c1ccccc1
InChI	InChI=1S/C24H19ClN2O4S/c25-19-8-6-7-18(17-19)13-14-23(28)31-16-15-27(20-9-2-1-3-10-20)24-21-11-4-5-12-22(21)32(29,30)26-24/h1-14,17H,15-16H2
InChIK	AANVXQVKSPLSSF-UHFFFAOYSA-N
TotalMolweight	466.944
Molweight	466.944
MonoisotopicMass	466.075405
CLogP	5.0376
CLogS	-5.589
H Acceptors	6
TotalSurfaceArea	338.32
Relative PSA	0.19709
PolarSurfaceArea	84.42
Druglikeness	3.0101
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	3
BasicNitrogens	1
StereoCon

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1 - 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl (E)-3-(3-chlorophenyl)prop-2-enoate | 2 - 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl (E)-3-(3-chlorophenyl)prop-2-enoate

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