(E)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide

Formula:C19H13N2OBrCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
MolecularFormula	C19H13N2OBrCl2S
Smiles	O=C(/C=C/c(cc1)cc(Cl)c1Cl)Nc1ncc(Cc(cc2)ccc2Br)s1
InChI	InChI=1S/C19H13BrCl2N2OS/c20-14-5-1-12(2-6-14)9-15-11-23-19(26-15)24-18(25)8-4-13-3-7-16(21)17(22)10-13/h1-8,10-11H,9H2,(H,23,24,25)
InChIK	YUSFPCOEGAOVEQ-UHFFFAOYSA-N
TotalMolweight	468.201
Molweight	468.201
MonoisotopicMass	465.930898
CLogP	6.5969
CLogS	-7.358
H Acceptors	3
H Donors	1
TotalSurfaceArea	306.42
Relative PSA	0.1822
PolarSurfaceArea	70.23
Druglikeness	-0.49626
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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