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Casrn : 74469-00-4

MolName : Amoxicillin mixture with Clavulanate potassium

MolecularFormula : K.C16H19N3O5S.C8H8NO5

Smiles : CC(C)([C@@H]1C(O)=O)S[C@H]([C@@H]2NC([C@@H](c(cc3)ccc3O)N)=O)N1C2=O.[O-]C([C@@H](/C(/O[C@@H]1C2)=C/CO)N1C2=O)=O.[K+]

InChI : InChI=1S/C16H19N3O5S.C8H9NO5.K/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);1,6-7,10H,2-3H2,(H,12,13);/q;;+1/p-1/t9-,10+,11-,14-;6-,7+;/m10.

InChIK : DWHGNUUWCJZQHO-AZBVECBQSA-M

CanonicalSyTyLFy : 78d1a4d921e2f42a

TotalMolweight : 602.66

Molweight : 365.409

MonoisotopicMass : 365.104542

CLogP : -2.0029

CLogS : -1.269

H Acceptors : 8

H Donors : 4

TotalSurfaceArea : 244.91

Relative PSA : 0.46176

PolarSurfaceArea : 158.26

Druglikeness : 9.3648

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.56

Molecula Flexibility : 0.39463

Molecular Complexity : 0.898

Fragments : 3

Non HAtoms : 25

NonCHAtoms : 9

Electronegative Atoms : 9

StereoCenters : 4

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 11

Symmetricatoms : 3

Amides : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon : this enantiomer