Mol Weight - 347.42
Smiles - N#Cc1ccc(C(c2c[nH]c3c2cccc3)c2c[nH]c3c2cccc3)cc1
| Property Name | Property Value |
| Mol Name | 4-(di(1H-indol-3-yl)methyl)benzonitrile |
| Molweight | 347.42 |
| Monoisotopic Mass | 347.142247 |
| Clogp | 4.2713 |
| Clogs | -5.683 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 275.33 |
| Relative Psa | 0.15087 |
| Polar Surface Area | 55.37 |
| Druglikeness | -4.0675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.44444 |
| Molecular Flexibility | 0.2183 |
| Molecular Complexity | 0.84517 |
| Fragments | 1 |
| Non H Atoms | 27 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 11 |
| Aromatic Nitrogens | 2 |
| Smiles | N#Cc1ccc(C(c2c[nH]c3c2cccc3)c2c[nH]c3c2cccc3)cc1 |
| InChIKey | InChI=1S/C24H17N3/c25-13-16-9-11-17(12-10-16)24(20-14-26-22-7-3-1-5-18(20)22)21-15-27-23-8-4-2-6-19(21)23/h1-12,14-15,24,26-27H |
| InChI | OPSOCPWQAFNZGC-UHFFFAOYSA-N |
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1 — 4-(di(1H-indol-3-yl)methyl)benzonitrile | 2 — 4-(di(1H-indol-3-yl)methyl)benzonitrile