(2S,3R)-3-(phenylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid

Formula:C16H19NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S,3R)-3-(phenylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid is a drug-like molecule.

MolName	(2S,3R)-3-(phenylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
MolecularFormula	C16H19NO3
Smiles	OC([C@@H](C1CCC2CC1)[C@@H]2C(Nc1ccccc1)=O)=O
InChI	InChI=1S/C16H19NO3/c18-15(17-12-4-2-1-3-5-12)13-10-6-8-11(9-7-10)14(13)16(19)20/h1-5,10-11,13-14H,6-9H2,(H,17,18)(H,19,20)/t10?,11?,13-,14+/m1/s1
InChIK	WNIIVZCWOAAXCS-QUINOFQRSA-N
TotalMolweight	273.331
Molweight	273.331
MonoisotopicMass	273.136494
CLogP	1.9458
CLogS	-3.325
H Acceptors	4
H Donors	2
TotalSurfaceArea	204.61
Relative PSA	0.2475
PolarSurfaceArea	66.4
Druglikeness	1.3283
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	2
Rotatable Bond	3
Rings Closures	3
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon	this enantiomer

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