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

Formula:C8H9NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is a drug-like molecule.

MolName	(3Z)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MolecularFormula	C8H9NO5
Smiles	OC/C=C(/C1C(O)=O)\OC(C2)N1C2=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)
InChIK	HZZVJAQRINQKSD-UHFFFAOYSA-N
TotalMolweight	199.161
Molweight	199.161
MonoisotopicMass	199.048074
CLogP	-1.3962
CLogS	-0.389
H Acceptors	6
H Donors	2
TotalSurfaceArea	132.23
Relative PSA	0.49784
PolarSurfaceArea	87.07
Druglikeness	2.8065
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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