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Casrn : 352323-25-2

MolName : Potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[2-(~2~H_5_)phenyl(~2~H_2_)ethanoyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

MolecularFormula : K.C16H10N2O4D7S

Smiles : [2H]C([2H])(C(N[C@@H]([C@H]1SC(C)(C)[C@H](C([O-])=O)N11)C1=O)=O)c1c([2H])c([2H])c([2H])c([2H])c1[2H].[K+]

InChI : InChI=1S/C16H18N2O4S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14+;/m0./s1/i3D,4D,5D,6D,7D,8D2;

InChIK : IYNDLOXRXUOGIU-UAOYYDJLSA-M

CanonicalSyTyLFy : 75b4c6a82ab7414b

TotalMolweight : 379.528

Molweight : 340.43

MonoisotopicMass : 340.134128

CLogP : -0.5385

CLogS : -2.037

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 232.48

Relative PSA : 0.36949

PolarSurfaceArea : 114.84

Druglikeness : 10.686

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : unwanted atom

Shape Index : 0.46667

Molecula Flexibility : 0.4687

Molecular Complexity : 0.94147

Fragments : 2

Non HAtoms : 30

NonCHAtoms : 14

Electronegative Atoms : 7

StereoCenters : 3

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 9

Symmetricatoms : 6

Amides : 2

AcidicOxygens : 1

StereoCon : this enantiomer