[4-chloro-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] (E)-3-(3-chlorophenyl)prop-2-enoate

Formula:C22H14N2O4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-chloro-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] (E)-3-(3-chlorophenyl)prop-2-enoate is not a drug-like molecule.

MolName	[4-chloro-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] (E)-3-(3-chlorophenyl)prop-2-enoate
MolecularFormula	C22H14N2O4Cl2S
Smiles	O=C(/C=C/c1cc(Cl)ccc1)Oc(ccc(Cl)c1)c1NC(c1c2cccc1)=NS2(=O)=O
InChI	InChI=1S/C22H14Cl2N2O4S/c23-15-5-3-4-14(12-15)8-11-21(27)30-19-10-9-16(24)13-18(19)25-22-17-6-1-2-7-20(17)31(28,29)26-22/h1-13H,(H,25,26)
InChIK	NGOIZPRZTXAZPO-UHFFFAOYSA-N
TotalMolweight	473.335
Molweight	473.335
MonoisotopicMass	472.005132
CLogP	5.4167
CLogS	-6.446
H Acceptors	6
H Donors	1
TotalSurfaceArea	327.38
Relative PSA	0.22784
PolarSurfaceArea	93.21
Druglikeness	0.87852
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	1
BasicNitrogens	1
StereoCon

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1 - [4-chloro-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] (E)-3-(3-chlorophenyl)prop-2-enoate | 2 - [4-chloro-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] (E)-3-(3-chlorophenyl)prop-2-enoate

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