(E)-3-(4-chloroanilino)-1-thiophen-2-ylprop-2-en-1-one

Formula:C13H10NOClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chloroanilino)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-chloroanilino)-1-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C13H10NOClS
Smiles	O=C(/C=C/Nc(cc1)ccc1Cl)c1cccs1
InChI	InChI=1S/C13H10ClNOS/c14-10-3-5-11(6-4-10)15-8-7-12(16)13-2-1-9-17-13/h1-9,15H
InChIK	FONKUHVZMJBKJF-UHFFFAOYSA-N
TotalMolweight	263.747
Molweight	263.747
MonoisotopicMass	263.017161
CLogP	2.9471
CLogS	-4.532
H Acceptors	2
H Donors	1
TotalSurfaceArea	200.09
Relative PSA	0.2242
PolarSurfaceArea	57.34
Druglikeness	3.1347
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70588
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
StereoCon

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