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

Formula:C14H13N2O3BrS Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-(4-bromophenoxy)acetate is a drug-like molecule.

MolName	[(E)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-(4-bromophenoxy)acetate
MolecularFormula	C14H13N2O3BrS
Smiles	N/C(/Cc1cccs1)=N/OC(COc(cc1)ccc1Br)=O
InChI	InChI=1S/C14H13BrN2O3S/c15-10-3-5-11(6-4-10)19-9-14(18)20-17-13(16)8-12-2-1-7-21-12/h1-7H,8-9H2,(H2,16,17)
InChIK	WHGNKACDSDZLNU-UHFFFAOYSA-N
TotalMolweight	369.238
Molweight	369.238
MonoisotopicMass	367.983024
CLogP	3.2369
CLogS	-4.125
H Acceptors	5
H Donors	1
TotalSurfaceArea	244.35
Relative PSA	0.32814
PolarSurfaceArea	102.15
Druglikeness	-1.9616
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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

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