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

Formula:C23H15N2OClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C23H15N2OClS2
Smiles	N#C/C(/Sc1nc(cccc2)c2s1)=C\c1cccc(OCc(cccc2)c2Cl)c1
InChI	InChI=1S/C23H15ClN2OS2/c24-20-9-2-1-7-17(20)15-27-18-8-5-6-16(12-18)13-19(14-25)28-23-26-21-10-3-4-11-22(21)29-23/h1-13H,15H2
InChIK	AXBWTVKRHKJTNC-UHFFFAOYSA-N
TotalMolweight	434.97
Molweight	434.97
MonoisotopicMass	434.03143
CLogP	6.3407
CLogS	-7.587
H Acceptors	3
TotalSurfaceArea	325.17
Relative PSA	0.22259
PolarSurfaceArea	99.45
Druglikeness	-3.6236
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
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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