(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enenitrile

Formula:C23H14N2O2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enenitrile
MolecularFormula	C23H14N2O2S
Smiles	N#C/C(/c1nc(-c(cc2)cc3c2OCO3)cs1)=C\c1cccc2ccccc12
InChI	InChI=1S/C23H14N2O2S/c24-12-18(10-16-6-3-5-15-4-1-2-7-19(15)16)23-25-20(13-28-23)17-8-9-21-22(11-17)27-14-26-21/h1-11,13H,14H2
InChIK	JMBBYTKPEKPNOI-UHFFFAOYSA-N
TotalMolweight	382.442
Molweight	382.442
MonoisotopicMass	382.077598
CLogP	5.2187
CLogS	-6.754
H Acceptors	4
TotalSurfaceArea	288.76
Relative PSA	0.22472
PolarSurfaceArea	83.38
Druglikeness	-1.772
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Aromatic Nitrogens	1
StereoCon

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