(E)-2-(1,3-benzothiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile

Formula:C23H16N2OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile
MolecularFormula	C23H16N2OS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c(cc1)ccc1OCc1ccccc1
InChI	InChI=1S/C23H16N2OS/c24-15-19(23-25-21-8-4-5-9-22(21)27-23)14-17-10-12-20(13-11-17)26-16-18-6-2-1-3-7-18/h1-14H,16H2
InChIK	LMWGOUIFNVGZAI-UHFFFAOYSA-N
TotalMolweight	368.459
Molweight	368.459
MonoisotopicMass	368.098333
CLogP	4.6879
CLogS	-5.234
H Acceptors	3
TotalSurfaceArea	292.26
Relative PSA	0.18781
PolarSurfaceArea	74.15
Druglikeness	-3.3116
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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