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

Formula:C22H15N2O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] (E)-3-(3-chlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] (E)-3-(3-chlorophenyl)prop-2-enoate
MolecularFormula	C22H15N2O4ClS
Smiles	O=C(/C=C/c1cccc(Cl)c1)Oc1cc(NC(c2c3cccc2)=NS3(=O)=O)ccc1
InChI	InChI=1S/C22H15ClN2O4S/c23-16-6-3-5-15(13-16)11-12-21(26)29-18-8-4-7-17(14-18)24-22-19-9-1-2-10-20(19)30(27,28)25-22/h1-14H,(H,24,25)
InChIK	AHQLXZFKGNCGKI-UHFFFAOYSA-N
TotalMolweight	438.89
Molweight	438.89
MonoisotopicMass	438.044105
CLogP	4.8107
CLogS	-5.71
H Acceptors	6
H Donors	1
TotalSurfaceArea	311.96
Relative PSA	0.2391
PolarSurfaceArea	93.21
Druglikeness	-0.32639
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
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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