N-[2-[(E)-1-cyano-2-(2,6-dichlorophenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]benzamide

Formula:C25H15N3OCl2S Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[2-[(E)-1-cyano-2-(2,6-dichlorophenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]benzamide is not a drug-like molecule.

MolName	N-[2-[(E)-1-cyano-2-(2,6-dichlorophenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]benzamide
MolecularFormula	C25H15N3OCl2S
Smiles	N#C/C(/c1nc(-c2ccccc2)c(NC(c2ccccc2)=O)s1)=C\c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C25H15Cl2N3OS/c26-20-12-7-13-21(27)19(20)14-18(15-28)24-29-22(16-8-3-1-4-9-16)25(32-24)30-23(31)17-10-5-2-6-11-17/h1-14H,(H,30,31)
InChIK	GSHKPXFNFRDCPL-UHFFFAOYSA-N
TotalMolweight	476.386
Molweight	476.386
MonoisotopicMass	475.031286
CLogP	6.462
CLogS	-7.571
H Acceptors	4
H Donors	1
TotalSurfaceArea	353.71
Relative PSA	0.19618
PolarSurfaceArea	94.02
Druglikeness	-1.417
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	7
Amides	1
Aromatic Nitrogens	1
StereoCon

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