KEX
Summary
| Name: | 5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole |
| Formula: | C10 H7 Br Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 312.553 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H7BrClN5/c11-7-2-6-5(1-10-14-16-17-15-10)4-13-9(6)3-8(7)12/h2-4,13H,1H2,(H,14,15,16,17) |
| InChIKey | InChI | 1.06 | HTQRKTDCAPEPRW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc2[nH]cc(Cc3[nH]nnn3)c2cc1Br |
| SMILES | CACTVS | 3.385 | Clc1cc2[nH]cc(Cc3[nH]nnn3)c2cc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1Br)Cl)[nH]cc2Cc3[nH]nnn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1Br)Cl)[nH]cc2Cc3[nH]nnn3 |
