[(E)-(1-amino-2-thiophen-2-ylethylidene)amino] 4-(2,4-dichlorophenoxy)butanoate

Formula:C16H16N2O3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high [(E)-(1-amino-2-thiophen-2-ylethylidene)amino] 4-(2,4-dichlorophenoxy)butanoate is a drug-like molecule.

MolName	[(E)-(1-amino-2-thiophen-2-ylethylidene)amino] 4-(2,4-dichlorophenoxy)butanoate
MolecularFormula	C16H16N2O3Cl2S
Smiles	N/C(/Cc1cccs1)=N/OC(CCCOc(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C16H16Cl2N2O3S/c17-11-5-6-14(13(18)9-11)22-7-1-4-16(21)23-20-15(19)10-12-3-2-8-24-12/h2-3,5-6,8-9H,1,4,7,10H2,(H2,19,20)
InChIK	NBYCBXNYDJTROC-UHFFFAOYSA-N
TotalMolweight	387.286
Molweight	387.286
MonoisotopicMass	386.025867
CLogP	4.6325
CLogS	-5.303
H Acceptors	5
H Donors	1
TotalSurfaceArea	284.08
Relative PSA	0.28224
PolarSurfaceArea	102.15
Druglikeness	-6.2006
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
StereoCon

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