(E)-3-(6-oxo-1H-pyridin-3-yl)prop-2-enoic acid

Formula:C8H7NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(6-oxo-1H-pyridin-3-yl)prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-(6-oxo-1H-pyridin-3-yl)prop-2-enoic acid
MolecularFormula	C8H7NO3
Smiles	OC(/C=C/C(C=C1)=CNC1=O)=O
InChI	InChI=1S/C8H7NO3/c10-7-3-1-6(5-9-7)2-4-8(11)12/h1-5H,(H,9,10)(H,11,12)
InChIK	GPGCFLDKCNSBSH-UHFFFAOYSA-N
TotalMolweight	165.148
Molweight	165.148
MonoisotopicMass	165.042594
CLogP	-0.5441
CLogS	-1.014
H Acceptors	4
H Donors	2
TotalSurfaceArea	131.02
Relative PSA	0.38651
PolarSurfaceArea	66.4
Druglikeness	0.69512
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.75
Fragments	1
Non HAtoms	12
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	1
Small Rings	1
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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