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

Formula:C13H11N2O2ClS Mutagenic:high Tumorigenic:high Reproductive Effective:low [(E)-(1-amino-2-thiophen-2-ylethylidene)amino] 4-chlorobenzoate is a drug-like molecule.

MolName	[(E)-(1-amino-2-thiophen-2-ylethylidene)amino] 4-chlorobenzoate
MolecularFormula	C13H11N2O2ClS
Smiles	N/C(/Cc1cccs1)=N/OC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C13H11ClN2O2S/c14-10-5-3-9(4-6-10)13(17)18-16-12(15)8-11-2-1-7-19-11/h1-7H,8H2,(H2,15,16)
InChIK	CHNSOIXGAWFJKQ-UHFFFAOYSA-N
TotalMolweight	294.761
Molweight	294.761
MonoisotopicMass	294.022975
CLogP	3.5428
CLogS	-4.247
H Acceptors	4
H Donors	1
TotalSurfaceArea	217.38
Relative PSA	0.32284
PolarSurfaceArea	92.92
Druglikeness	-0.18333
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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