(1S,3S,6S,7S,9S)-5-oxo-N-phenyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

Formula:C15H15NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1S,3S,6S,7S,9S)-5-oxo-N-phenyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is a drug-like molecule.

MolName	(1S,3S,6S,7S,9S)-5-oxo-N-phenyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
MolecularFormula	C15H15NO3
Smiles	O=C([C@@H]([C@@H](C[C@@H]12)C[C@@H]2O2)[C@H]1C2=O)Nc1ccccc1
InChI	InChI=1S/C15H15NO3/c17-14(16-9-4-2-1-3-5-9)12-8-6-10-11(7-8)19-15(18)13(10)12/h1-5,8,10-13H,6-7H2,(H,16,17)/t8-,10-,11+,12-,13-/m0/s1
InChIK	XVZVHBKIVGUKRA-UPXOXWNWSA-N
TotalMolweight	257.288
Molweight	257.288
MonoisotopicMass	257.105194
CLogP	1.1814
CLogS	-3.137
H Acceptors	4
H Donors	1
TotalSurfaceArea	179.74
Relative PSA	0.26449
PolarSurfaceArea	55.4
Druglikeness	2.6453
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.52632
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	5
Rotatable Bond	2
Rings Closures	4
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
Amides	1
StereoCon	this enantiomer

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1 - (1S,3S,6S,7S,9S)-5-oxo-N-phenyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide | 2 - (1S,3S,6S,7S,9S)-5-oxo-N-phenyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

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