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

Formula:C22H13N3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylamino)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylamino)prop-2-enenitrile
MolecularFormula	C22H13N3Cl2S
Smiles	N#C/C(/c1nc(-c(ccc(Cl)c2)c2Cl)cs1)=C\Nc1cccc2ccccc12
InChI	InChI=1S/C22H13Cl2N3S/c23-16-8-9-18(19(24)10-16)21-13-28-22(27-21)15(11-25)12-26-20-7-3-5-14-4-1-2-6-17(14)20/h1-10,12-13,26H
InChIK	KEPMKOSMEIENSX-UHFFFAOYSA-N
TotalMolweight	422.338
Molweight	422.338
MonoisotopicMass	421.020721
CLogP	5.49
CLogS	-7.461
H Acceptors	3
H Donors	1
TotalSurfaceArea	310.8
Relative PSA	0.18131
PolarSurfaceArea	76.95
Druglikeness	-1.6292
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Aromatic Nitrogens	1
StereoCon

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1 - (E)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylamino)prop-2-enenitrile | 2 - (E)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylamino)prop-2-enenitrile

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