Mol Weight - 686.71
Smiles - Fc(cc1)ccc1C(c1ccc(C(c(cc2)ccc2F)=C2N=C3C=C2)[nH]1)=C(C=C1)N=C1C(c(cc1)ccc1F)=C(C=C1)NC1=C3c(cc1)ccc1F
| Property Name | Property Value |
| Mol Name | 5,10,15,20-Tetrakis(4-fluorophenyl)-21H,23H-porphine |
| Molweight | 686.71 |
| Monoisotopic Mass | 686.209358 |
| Clogp | 6.2248 |
| Clogs | -9.921 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 501.85 |
| Relative Psa | 0.096583 |
| Polar Surface Area | 52.54 |
| Druglikeness | -0.039273 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.36538 |
| Molecular Flexibility | 0.16533 |
| Molecular Complexity | 1.0142 |
| Fragments | 1 |
| Non H Atoms | 52 |
| Non Ch Atoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bonds | 4 |
| Rings Closures | 9 |
| Small Rings | 8 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Symmetric Atoms | 29 |
| Aromatic Nitrogens | 1 |
| Basic Nitrogens | 2 |
| Smiles | Fc(cc1)ccc1C(c1ccc(C(c(cc2)ccc2F)=C2N=C3C=C2)[nH]1)=C(C=C1)N=C1C(c(cc1)ccc1F)=C(C=C1)NC1=C3c(cc1)ccc1F |
| InChIKey | InChI=1S/C44H26F4N4/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24 |
| InChI | WCSKDPQVNKZNQD-UHFFFAOYSA-N |
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1 — 5,10,15,20-Tetrakis(4-fluorophenyl)-21H,23H-porphine | 2 — 5,10,15,20-Tetrakis(4-fluorophenyl)-21H,23H-porphine