(E)-3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide

Formula:C9H8N4O Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide is a drug-like molecule.

MolName(E)-3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide
MolecularFormulaC9H8N4O
SmilesNC(/C=C/c1c[nH]c2nccnc12)=O
InChIInChI=1S/C9H8N4O/c10-7(14)2-1-6-5-13-9-8(6)11-3-4-12-9/h1-5H,(H2,10,14)(H,12,13)
InChIKYSOUJGPFYLDVIC-UHFFFAOYSA-N
TotalMolweight188.19
Molweight188.19
MonoisotopicMass188.069811
CLogP-0.4809
CLogS-1.75
H Acceptors5
H Donors2
TotalSurfaceArea147.72
Relative PSA0.43488
PolarSurfaceArea84.66
Druglikeness-0.24046
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.64286
Fragments1
Non HAtoms14
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond2
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms9
Amides1
Aromatic Nitrogens3
StereoCon

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