[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-thiophen-2-ylacetate

Formula:C14H12N2O2Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-thiophen-2-ylacetate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-thiophen-2-ylacetate
MolecularFormula	C14H12N2O2Cl2S
Smiles	N/C(/Cc(ccc(Cl)c1)c1Cl)=N/OC(Cc1cccs1)=O
InChI	InChI=1S/C14H12Cl2N2O2S/c15-10-4-3-9(12(16)7-10)6-13(17)18-20-14(19)8-11-2-1-5-21-11/h1-5,7H,6,8H2,(H2,17,18)
InChIK	RXMRINCMBNJOTM-UHFFFAOYSA-N
TotalMolweight	343.233
Molweight	343.233
MonoisotopicMass	341.999652
CLogP	4.1469
CLogS	-4.948
H Acceptors	4
H Donors	1
TotalSurfaceArea	246.56
Relative PSA	0.28464
PolarSurfaceArea	92.92
Druglikeness	-1.2225
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
StereoCon

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1 - [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-thiophen-2-ylacetate | 2 - [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-thiophen-2-ylacetate

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