4-[[(E)-2-cyano-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide

Formula:C19H12N4OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-cyano-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide is a drug-like molecule.

MolName	4-[[(E)-2-cyano-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide
MolecularFormula	C19H12N4OCl2S
Smiles	NC(c(cc1)ccc1N/C=C(/c1nc(-c(ccc(Cl)c2)c2Cl)cs1)\C#N)=O
InChI	InChI=1S/C19H12Cl2N4OS/c20-13-3-6-15(16(21)7-13)17-10-27-19(25-17)12(8-22)9-24-14-4-1-11(2-5-14)18(23)26/h1-7,9-10,24H,(H2,23,26)
InChIK	FPKMQOUJMDLQJV-UHFFFAOYSA-N
TotalMolweight	415.303
Molweight	415.303
MonoisotopicMass	414.010885
CLogP	3.3829
CLogS	-5.944
H Acceptors	5
H Donors	2
TotalSurfaceArea	302.47
Relative PSA	0.2799
PolarSurfaceArea	120.04
Druglikeness	-1.1515
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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