[(E)-[1-amino-3-(3-chloro-4-fluoroanilino)-3-oxopropylidene]amino] thiophene-2-carboxylate

Formula:C14H11N3O3ClFS Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[1-amino-3-(3-chloro-4-fluoroanilino)-3-oxopropylidene]amino] thiophene-2-carboxylate is a drug-like molecule.

MolName	[(E)-[1-amino-3-(3-chloro-4-fluoroanilino)-3-oxopropylidene]amino] thiophene-2-carboxylate
MolecularFormula	C14H11N3O3ClFS
Smiles	N/C(/CC(Nc(cc1)cc(Cl)c1F)=O)=N/OC(c1cccs1)=O
InChI	InChI=1S/C14H11ClFN3O3S/c15-9-6-8(3-4-10(9)16)18-13(20)7-12(17)19-22-14(21)11-2-1-5-23-11/h1-6H,7H2,(H2,17,19)(H,18,20)
InChIK	YCJPXMOBCLLPCJ-UHFFFAOYSA-N
TotalMolweight	355.776
Molweight	355.776
MonoisotopicMass	355.019367
CLogP	3.0422
CLogS	-4.67
H Acceptors	6
H Donors	2
TotalSurfaceArea	252.94
Relative PSA	0.37432
PolarSurfaceArea	122.02
Druglikeness	-0.024633
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - [(E)-[1-amino-3-(3-chloro-4-fluoroanilino)-3-oxopropylidene]amino] thiophene-2-carboxylate | 2 - [(E)-[1-amino-3-(3-chloro-4-fluoroanilino)-3-oxopropylidene]amino] thiophene-2-carboxylate

Request More Details | [(E)-[1-amino-3-(3-chloro-4-fluoroanilino)-3-oxopropylidene]amino] thiophene-2-carboxylate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments