(3Z)-1-(4-chlorophenyl)-4,4,4-trifluoro-3-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]butan-1-one

Formula:C19H12N4O3ClF3S Mutagenic:none Tumorigenic:high Reproductive Effective:none (3Z)-1-(4-chlorophenyl)-4,4,4-trifluoro-3-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]butan-1-one is not a drug-like molecule.

MolName	(3Z)-1-(4-chlorophenyl)-4,4,4-trifluoro-3-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]butan-1-one
MolecularFormula	C19H12N4O3ClF3S
Smiles	[O-][N+](c(cc1)ccc1-c1csc(N/N=C(/CC(c(cc2)ccc2Cl)=O)\C(F)(F)F)n1)=O
InChI	InChI=1S/C19H12ClF3N4O3S/c20-13-5-1-12(2-6-13)16(28)9-17(19(21,22)23)25-26-18-24-15(10-31-18)11-3-7-14(8-4-11)27(29)30/h1-8,10H,9H2,(H,24,26)
InChIK	UGBRELGRBLLNIF-UHFFFAOYSA-N
TotalMolweight	468.842
Molweight	468.842
MonoisotopicMass	468.027072
CLogP	6.0084
CLogS	-7.148
H Acceptors	7
H Donors	1
TotalSurfaceArea	321.97
Relative PSA	0.30363
PolarSurfaceArea	128.41
Druglikeness	-13.279
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (3Z)-1-(4-chlorophenyl)-4,4,4-trifluoro-3-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]butan-1-one | 2 - (3Z)-1-(4-chlorophenyl)-4,4,4-trifluoro-3-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]butan-1-one

Request More Details | (3Z)-1-(4-chlorophenyl)-4,4,4-trifluoro-3-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]butan-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments