(3Z)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate

Formula:C8H8NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate is a drug-like molecule.

MolName	(3Z)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
MolecularFormula	C8H8NO5
Smiles	[O-]C(C(/C(/OC1C2)=C/CO)N1C2=O)=O
InChI	InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1
InChIK	HZZVJAQRINQKSD-UHFFFAOYSA-M
TotalMolweight	198.154
Molweight	198.154
MonoisotopicMass	198.040249
CLogP	-3.4722
CLogS	-0.389
H Acceptors	6
H Donors	1
TotalSurfaceArea	133.41
Relative PSA	0.50229
PolarSurfaceArea	89.9
Druglikeness	3.181
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	14
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	2
Rotatable Bond	2
Rings Closures	2
Small Rings	3
Sp3Atoms	7
Amides	1
AcidicOxygens	1
StereoCon	unknown chirality

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