(E)-N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide

Formula:C17H13NOS Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.

MolName(E)-N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
MolecularFormulaC17H13NOS
SmilesO=C(/C=C/c1cccs1)Nc1cc2ccccc2cc1
InChIInChI=1S/C17H13NOS/c19-17(10-9-16-6-3-11-20-16)18-15-8-7-13-4-1-2-5-14(13)12-15/h1-12H,(H,18,19)
InChIKCAPBPVUBSNGEQU-UHFFFAOYSA-N
TotalMolweight279.362
Molweight279.362
MonoisotopicMass279.071784
CLogP4.1973
CLogS-5.114
H Acceptors2
H Donors1
TotalSurfaceArea219.27
Relative PSA0.20459
PolarSurfaceArea57.34
Druglikeness1.6538
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.65
Fragments1
Non HAtoms20
NonCHAtoms3
Electronegative Atoms3
Rotatable Bond3
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms15
Amides1
StereoCon

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