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Casrn : 8061-91-4

MolName : Progresin (retard)

MolecularFormula : Mg.Mg.C24H33O5.C24H33O5.C6H4NO2.C6H4NO2

Smiles : C[C@H](CCC([O-])=O)[C@@H](CCC1C(C(C2)[C@@](C)(CCC(C3)=O)[C@@H]3C3)C3=O)[C@@]1(C)C2=O.C[C@H](CCC([O-])=O)[C@@H](CCC1C(C(C2)[C@@](C)(CCC(C3)=O)[C@@H]3C3)C3=O)[C@@]1(C)C2=O.[O-]C(c1cnccc1)=O.[O-]C(c1cnccc1)=O.[Mg+2].[Mg+2]

InChI : InChI=1S/2C24H34O5.2C6H5NO2.2Mg/c2*1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;2*8-6(9)5-2-1-3-7-4-5;;/h2*13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);2*1-4H,(H,8,9);;/q;;;;2*+2/p-4/t2*13-,14-,16-,17?,18?,22?,23+,24

InChIK : FEWSAOMBCOSINF-INGMUTGCSA-J

CanonicalSyTyLFy : 32826fbd0e189833

TotalMolweight : 1095.86

Molweight : 401.521

MonoisotopicMass : 401.2328

CLogP : 1.5345

CLogS : -4.633

H Acceptors : 5

TotalSurfaceArea : 294.47

Relative PSA : 0.22563

PolarSurfaceArea : 91.34

Druglikeness : -0.17766

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions :

Shape Index : 0.51724

Molecula Flexibility : 0.33936

Molecular Complexity : 0.94186

Fragments : 6

Non HAtoms : 29

NonCHAtoms : 5

Electronegative Atoms : 5

StereoCenters : 8

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Sp3Atoms : 21

AcidicOxygens : 1

StereoCon : unknown chirality