Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

Casrn : 88023-65-8

MolName : Potassium (2S-trans)-3-(((2-(formylamino)thiazol-4-yl)oxoacetyl)amino)-2-methyl-4-oxoazetidine-1-sulphonate

MolecularFormula : K.C10H9N4O7S2

Smiles : C[C@@H]([C@@H](C1=O)NC(C(c2csc(NC=O)n2)=O)=O)N1S([O-])(=O)=O.[K+]

InChI : InChI=1S/C10H10N4O7S2.K/c1-4-6(9(18)14(4)23(19,20)21)13-8(17)7(16)5-2-22-10(12-5)11-3-15;/h2-4,6H,1H3,(H,13,17)(H,11,12,15)(H,19,20,21);/q;+1/p-1/t4-,6-;/m1./s1

InChIK : PPMCTCAERIMPSL-FINAUTGASA-M

CanonicalSyTyLFy : 7e807af94ceea8cc

TotalMolweight : 400.432

Molweight : 361.334

MonoisotopicMass : 360.991266

CLogP : -4.4232

CLogS : -1.244

H Acceptors : 11

H Donors : 2

TotalSurfaceArea : 233.84

Relative PSA : 0.65352

PolarSurfaceArea : 202.29

Druglikeness : -0.57522

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : limit! thiazol-2-ylamine

Shape Index : 0.6087

Molecula Flexibility : 0.41235

Molecular Complexity : 0.82757

Fragments : 2

Non HAtoms : 23

NonCHAtoms : 13

Electronegative Atoms : 13

StereoCenters : 2

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 5

Sp3Atoms : 5

Symmetricatoms : 1

Amides : 3

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon : this enantiomer