(E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-chlorophenoxy)phenyl]prop-2-enenitrile

Formula:C22H13N2OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-chlorophenoxy)phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-chlorophenoxy)phenyl]prop-2-enenitrile
MolecularFormula	C22H13N2OClS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c1cccc(Oc(cc2)ccc2Cl)c1
InChI	InChI=1S/C22H13ClN2OS/c23-17-8-10-18(11-9-17)26-19-5-3-4-15(13-19)12-16(14-24)22-25-20-6-1-2-7-21(20)27-22/h1-13H
InChIK	ZIUBFXNCAJVICY-UHFFFAOYSA-N
TotalMolweight	388.877
Molweight	388.877
MonoisotopicMass	388.04371
CLogP	5.3414
CLogS	-6.926
H Acceptors	3
TotalSurfaceArea	293.92
Relative PSA	0.18675
PolarSurfaceArea	74.15
Druglikeness	-3.0406
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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