N-[(E)-3-(2-benzoylhydrazinyl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C21H17N3O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(E)-3-(2-benzoylhydrazinyl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolNameN-[(E)-3-(2-benzoylhydrazinyl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormulaC21H17N3O4
SmilesO=C(/C(/NC(c1ccccc1)=O)=C\c1ccco1)NNC(c1ccccc1)=O
InChIInChI=1S/C21H17N3O4/c25-19(15-8-3-1-4-9-15)22-18(14-17-12-7-13-28-17)21(27)24-23-20(26)16-10-5-2-6-11-16/h1-14H,(H,22,25)(H,23,26)(H,24,27)
InChIKXTUOFVRALHGQDL-UHFFFAOYSA-N
TotalMolweight375.383
Molweight375.383
MonoisotopicMass375.121907
CLogP2.423
CLogS-4.737
H Acceptors7
H Donors3
TotalSurfaceArea294.81
Relative PSA0.29717
PolarSurfaceArea100.44
Druglikeness3.8699
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.53571
Fragments1
Non HAtoms28
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Symmetricatoms4
Amides1
StereoCon

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