N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide

Formula:C15H13N2OBrS Mutagenic:high Tumorigenic:low Reproductive Effective:none N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide is a drug-like molecule.

MolName	N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide
MolecularFormula	C15H13N2OBrS
Smiles	O=C(Cc1cccs1)N/N=C/C(/Br)=C/c1ccccc1
InChI	InChI=1S/C15H13BrN2OS/c16-13(9-12-5-2-1-3-6-12)11-17-18-15(19)10-14-7-4-8-20-14/h1-9,11H,10H2,(H,18,19)
InChIK	ADEAVHOROOIQPD-UHFFFAOYSA-N
TotalMolweight	349.251
Molweight	349.251
MonoisotopicMass	347.993194
CLogP	3.6772
CLogS	-4.821
H Acceptors	3
H Donors	1
TotalSurfaceArea	240.03
Relative PSA	0.23485
PolarSurfaceArea	69.7
Druglikeness	0.78008
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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