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MolName : tetrasodium;cobalt(2+);4-[10,15,20-tris(4-sulfonatophenyl)porphyrin-22,23-diid-5-yl]benzenesulfonate

MolecularFormula : Co.C44H24N4O12S4.Na.Na.Na.Na

Smiles : [O-]S(c(cc1)ccc1/C(/c1ccc(/C(/c(cc2)ccc2S([O-])(=O)=O)=C(/C=C2)\N=C2/C(/c(cc2)ccc2S([O-])(=O)=O)=C2\N=C3C=C2)[n-]1)=C(\C=C1)/[N-]/C1=C3/c(cc1)ccc1S([O-])(=O)=O)(=O)=O.[Na+].[Na+].[Na+].[Na+].[Co+2]

InChI : InChI=1S/C44H28N4O12S4.Co.4Na/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57;;;;;/h1-24H,(H

InChIK : RJVOUOQANIMOPQ-UHFFFAOYSA-J

TotalMolweight : 1079.85

Molweight : 928.955

MonoisotopicMass : 928.027356

CLogP : -10.443

CLogS : -3.089

H Acceptors : 16

TotalSurfaceArea : 595.44

Relative PSA : 0.32658

PolarSurfaceArea : 287.04

Druglikeness : -6.3719

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.32813

Fragments : 6

Non HAtoms : 64

NonCHAtoms : 20

Electronegative Atoms : 20

Rotatable Bond : 8

Rings Closures : 9

Small Rings : 8

Aromatic Rings : 5

Aromatic Atoms : 29

Sp3Atoms : 8

Symmetricatoms : 12

Aromatic Nitrogens : 1

BasicNitrogens : 2

AcidicOxygens : 4

StereoCon :