[4-[(Z)-[1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate

Formula:C22H12N2O3ClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:high [4-[(Z)-[1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.

MolName	[4-[(Z)-[1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate
MolecularFormula	C22H12N2O3ClF3S
Smiles	O=C(c1cccs1)Oc1ccc(/C=C(/C(C(F)(F)F)=NN2c(cc3)ccc3Cl)\C2=O)cc1
InChI	InChI=1S/C22H12ClF3N2O3S/c23-14-5-7-15(8-6-14)28-20(29)17(19(27-28)22(24,25)26)12-13-3-9-16(10-4-13)31-21(30)18-2-1-11-32-18/h1-12H
InChIK	NYLYPTQFUZQTPB-UHFFFAOYSA-N
TotalMolweight	476.861
Molweight	476.861
MonoisotopicMass	476.020924
CLogP	5.9512
CLogS	-6.393
H Acceptors	5
TotalSurfaceArea	323.58
Relative PSA	0.22097
PolarSurfaceArea	87.21
Druglikeness	-6.0497
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	6
StereoCon

Click to Load Molecule:

1 - [4-[(Z)-[1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate | 2 - [4-[(Z)-[1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate

Request More Details | [4-[(Z)-[1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments