Mol Weight - 854.957
Smiles - COc1cc(C(c2ccc(C(c3cc(OC)cc(OC)c3)=C3N=C4C=C3)[nH]2)=C(C=C2)N=C2C(c2cc(OC)cc(OC)c2)=C(C=C2)NC2=C4c2cc(OC)cc(OC)c2)cc(OC)c1
| Property Name | Property Value |
| Mol Name | 5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)porphyrin |
| Molweight | 854.957 |
| Monoisotopic Mass | 854.331566 |
| Clogp | 5.2616 |
| Clogs | -8.809 |
| H Acceptors | 12 |
| H Donors | 2 |
| Total Surface Area | 654.53 |
| Relative Psa | 0.19628 |
| Polar Surface Area | 126.38 |
| Druglikeness | 1.3089 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.29688 |
| Molecular Flexibility | 0.21384 |
| Molecular Complexity | 1.0435 |
| Fragments | 1 |
| Non H Atoms | 64 |
| Non Ch Atoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bonds | 12 |
| Rings Closures | 9 |
| Small Rings | 8 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3 Atoms | 16 |
| Symmetric Atoms | 39 |
| Aromatic Nitrogens | 1 |
| Basic Nitrogens | 2 |
| Smiles | COc1cc(C(c2ccc(C(c3cc(OC)cc(OC)c3)=C3N=C4C=C3)[nH]2)=C(C=C2)N=C2C(c2cc(OC)cc(OC)c2)=C(C=C2)NC2=C4c2cc(OC)cc(OC)c2)cc(OC)c1 |
| InChIKey | InChI=1S/C52H46N4O8/c1-57-33-17-29(18-34(25-33)58-2)49-41-9-11-43(53-41)50(30-19-35(59-3)26-36(20-30)60-4)45-13-15-47(55-45)52(32-23-39(63-7)28-40(24-32)64-8)48-16-14-46(56-48)51(44-12-10-42(49)54-44) |
| InChI | YNXRFPUCCCJMPX-UHFFFAOYSA-N |
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1 — 5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)porphyrin | 2 — 5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)porphyrin