Chemical Name - Porphine
Mol Weight - 310.359
Smiles - c1c(C=C(C=C2)N=C2C=C(C=C2)NC2=CC(C=C2)=NC2=C2)[nH]c2c1
Mol Weight - 310.359
Smiles - c1c(C=C(C=C2)N=C2C=C(C=C2)NC2=CC(C=C2)=NC2=C2)[nH]c2c1
| Property Value | |
| Mol Name | Porphine |
| Molweight | 310.359 |
| Monoisotopic Mass | 310.121846 |
| Clogp | 2.0506 |
| Clogs | -4.341 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 244.57 |
| Relative Psa | 0.19818 |
| Polar Surface Area | 52.54 |
| Druglikeness | 0.975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.41667 |
| Molecular Flexibility | 0.10468 |
| Molecular Complexity | 0.82757 |
| Fragments | 1 |
| Non H Atoms | 24 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 5 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Symmetric Atoms | 11 |
| Aromatic Nitrogens | 1 |
| Basic Nitrogens | 2 |
| Smiles | c1c(C=C(C=C2)N=C2C=C(C=C2)NC2=CC(C=C2)=NC2=C2)[nH]c2c1 |
| InChIKey | InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21,24H |
| InChI | RKCAIXNGYQCCAL-UHFFFAOYSA-N |
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1 - Porphine
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