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

Formula:C14H12N3O3FS Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[1-amino-3-(4-fluoroanilino)-3-oxopropylidene]amino] thiophene-2-carboxylate is a drug-like molecule.

MolName	[(E)-[1-amino-3-(4-fluoroanilino)-3-oxopropylidene]amino] thiophene-2-carboxylate
MolecularFormula	C14H12N3O3FS
Smiles	N/C(/CC(Nc(cc1)ccc1F)=O)=N/OC(c1cccs1)=O
InChI	InChI=1S/C14H12FN3O3S/c15-9-3-5-10(6-4-9)17-13(19)8-12(16)18-21-14(20)11-2-1-7-22-11/h1-7H,8H2,(H2,16,18)(H,17,19)
InChIK	NYONEBMSCYPROQ-UHFFFAOYSA-N
TotalMolweight	321.331
Molweight	321.331
MonoisotopicMass	321.05834
CLogP	2.4362
CLogS	-3.934
H Acceptors	6
H Donors	2
TotalSurfaceArea	237.52
Relative PSA	0.39862
PolarSurfaceArea	122.02
Druglikeness	-0.092882
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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