(E)-3-(2,4-dichlorophenyl)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C22H12N2Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C22H12N2Cl2S
Smiles	N#C/C(/c1nc(-c2cccc3ccccc23)cs1)=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C22H12Cl2N2S/c23-17-9-8-15(20(24)11-17)10-16(12-25)22-26-21(13-27-22)19-7-3-5-14-4-1-2-6-18(14)19/h1-11,13H
InChIK	SPKZTVQKMAFYSM-UHFFFAOYSA-N
TotalMolweight	407.323
Molweight	407.323
MonoisotopicMass	406.009822
CLogP	6.3193
CLogS	-7.515
H Acceptors	2
TotalSurfaceArea	299.34
Relative PSA	0.14996
PolarSurfaceArea	64.92
Druglikeness	-1.6018
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Aromatic Nitrogens	1
StereoCon

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