2-[(2Z)-2-[4-(4-bromophenyl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]hydrazinyl]-1,3-thiazole-4-carbohydrazide

Formula:C14H11N5O2BrF3S Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(2Z)-2-[4-(4-bromophenyl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]hydrazinyl]-1,3-thiazole-4-carbohydrazide is a drug-like molecule.

MolName	2-[(2Z)-2-[4-(4-bromophenyl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]hydrazinyl]-1,3-thiazole-4-carbohydrazide
MolecularFormula	C14H11N5O2BrF3S
Smiles	NNC(c1csc(N/N=C(/CC(c(cc2)ccc2Br)=O)\C(F)(F)F)n1)=O
InChI	InChI=1S/C14H11BrF3N5O2S/c15-8-3-1-7(2-4-8)10(24)5-11(14(16,17)18)22-23-13-20-9(6-26-13)12(25)21-19/h1-4,6H,5,19H2,(H,20,23)(H,21,25)
InChIK	UKISRPPFONPDDI-UHFFFAOYSA-N
TotalMolweight	450.238
Molweight	450.238
MonoisotopicMass	448.97689
CLogP	3.8466
CLogS	-5.398
H Acceptors	7
H Donors	3
TotalSurfaceArea	279.48
Relative PSA	0.38325
PolarSurfaceArea	137.71
Druglikeness	-14.773
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	hydrazine
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - 2-[(2Z)-2-[4-(4-bromophenyl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]hydrazinyl]-1,3-thiazole-4-carbohydrazide | 2 - 2-[(2Z)-2-[4-(4-bromophenyl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]hydrazinyl]-1,3-thiazole-4-carbohydrazide

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