(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C23H14N2OCl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C23H14N2OCl2S2
Smiles	N#C/C(/Sc1nc(cccc2)c2s1)=C\c(cc(cc1)Cl)c1OCc1cc(Cl)ccc1
InChI	InChI=1S/C23H14Cl2N2OS2/c24-17-5-3-4-15(10-17)14-28-21-9-8-18(25)11-16(21)12-19(13-26)29-23-27-20-6-1-2-7-22(20)30-23/h1-12H,14H2
InChIK	KPNXRRKISQWXQG-UHFFFAOYSA-N
TotalMolweight	469.415
Molweight	469.415
MonoisotopicMass	467.992457
CLogP	6.9467
CLogS	-8.323
H Acceptors	3
TotalSurfaceArea	340.59
Relative PSA	0.21251
PolarSurfaceArea	99.45
Druglikeness	-3.6236
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Aromatic Nitrogens	1
StereoCon

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