N-[(Z)-3-(2-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide

Formula:C21H17N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3-(2-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolNameN-[(Z)-3-(2-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
MolecularFormulaC21H17N3O3
SmilesOc(cccc1)c1NC(/C(/NC(c1ccccc1)=O)=C/c1ccncc1)=O
InChIInChI=1S/C21H17N3O3/c25-19-9-5-4-8-17(19)23-21(27)18(14-15-10-12-22-13-11-15)24-20(26)16-6-2-1-3-7-16/h1-14,25H,(H,23,27)(H,24,26)
InChIKCJEPIATTWFWWQS-UHFFFAOYSA-N
TotalMolweight359.384
Molweight359.384
MonoisotopicMass359.126992
CLogP3.0772
CLogS-3.782
H Acceptors6
H Donors3
TotalSurfaceArea281.02
Relative PSA0.26002
PolarSurfaceArea91.32
Druglikeness2.9925
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48148
Fragments1
Non HAtoms27
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms1
Symmetricatoms4
Amides2
Aromatic Nitrogens1
StereoCon

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