[(E)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-(4-bromo-2-chlorophenoxy)acetate

Formula:C14H12N2O3BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-(4-bromo-2-chlorophenoxy)acetate is a drug-like molecule.

MolName	[(E)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-(4-bromo-2-chlorophenoxy)acetate
MolecularFormula	C14H12N2O3BrClS
Smiles	N/C(/Cc1cccs1)=N/OC(COc(ccc(Br)c1)c1Cl)=O
InChI	InChI=1S/C14H12BrClN2O3S/c15-9-3-4-12(11(16)6-9)20-8-14(19)21-18-13(17)7-10-2-1-5-22-10/h1-6H,7-8H2,(H2,17,18)
InChIK	CXOYNJBPBLETAR-UHFFFAOYSA-N
TotalMolweight	403.683
Molweight	403.683
MonoisotopicMass	401.944051
CLogP	3.8429
CLogS	-4.861
H Acceptors	5
H Donors	1
TotalSurfaceArea	259.77
Relative PSA	0.30866
PolarSurfaceArea	102.15
Druglikeness	-1.8857
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
StereoCon

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1 - [(E)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-(4-bromo-2-chlorophenoxy)acetate | 2 - [(E)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-(4-bromo-2-chlorophenoxy)acetate

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