[(E)-[1-amino-3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropylidene]amino] thiophene-2-carboxylate

Formula:C15H11N3O3ClF3S Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[1-amino-3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropylidene]amino] thiophene-2-carboxylate is a drug-like molecule.

MolName	[(E)-[1-amino-3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropylidene]amino] thiophene-2-carboxylate
MolecularFormula	C15H11N3O3ClF3S
Smiles	N/C(/CC(Nc(cc(C(F)(F)F)cc1)c1Cl)=O)=N/OC(c1cccs1)=O
InChI	InChI=1S/C15H11ClF3N3O3S/c16-9-4-3-8(15(17,18)19)6-10(9)21-13(23)7-12(20)22-25-14(24)11-2-1-5-26-11/h1-6H,7H2,(H2,20,22)(H,21,23)
InChIK	QIVLIIVLOQRPJV-UHFFFAOYSA-N
TotalMolweight	405.783
Molweight	405.783
MonoisotopicMass	405.016173
CLogP	3.7897
CLogS	-5.134
H Acceptors	6
H Donors	2
TotalSurfaceArea	276.05
Relative PSA	0.34298
PolarSurfaceArea	122.02
Druglikeness	-5.8746
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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1 - [(E)-[1-amino-3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropylidene]amino] thiophene-2-carboxylate | 2 - [(E)-[1-amino-3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropylidene]amino] thiophene-2-carboxylate

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