N-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-2,4-dichlorobenzamide

Formula:C22H14N2OCl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-2,4-dichlorobenzamide is not a drug-like molecule.

MolName	N-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-2,4-dichlorobenzamide
MolecularFormula	C22H14N2OCl2S
Smiles	O=C(c(ccc(Cl)c1)c1Cl)Nc1ccc(/C=C/c2nc(cccc3)c3s2)cc1
InChI	InChI=1S/C22H14Cl2N2OS/c23-15-8-11-17(18(24)13-15)22(27)25-16-9-5-14(6-10-16)7-12-21-26-19-3-1-2-4-20(19)28-21/h1-13H,(H,25,27)
InChIK	INFAOCQGZBDZCY-UHFFFAOYSA-N
TotalMolweight	425.338
Molweight	425.338
MonoisotopicMass	424.020387
CLogP	6.2333
CLogS	-7
H Acceptors	3
H Donors	1
TotalSurfaceArea	308.63
Relative PSA	0.1809
PolarSurfaceArea	70.23
Druglikeness	2.3191
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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