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

Formula:C24H14N2Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C24H14N2Cl2S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C24H14Cl2N2S/c25-21-11-10-19(22(26)13-21)12-20(14-27)24-28-23(15-29-24)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,15H
InChIK	ZEJDRPIHSIKFQS-UHFFFAOYSA-N
TotalMolweight	433.361
Molweight	433.361
MonoisotopicMass	432.025472
CLogP	6.7841
CLogS	-7.995
H Acceptors	2
TotalSurfaceArea	324.5
Relative PSA	0.13834
PolarSurfaceArea	64.92
Druglikeness	-1.6018
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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