2J1
Summary
| Name: | 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid |
| Formula: | C13 H12 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 249.693 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 3-chloranyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1c(Cl)cc2c(c1)nc3c2CCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C13H12ClNO2/c14-10-5-8-7-3-1-2-4-11(7)15-12(8)6-9(10)13(16)17/h5-6,15H,1-4H2,(H,16,17) |
| InChIKey | InChI | 1.03 | QPXAEUZWZDSOOF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc2[nH]c3CCCCc3c2cc1Cl |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc2[nH]c3CCCCc3c2cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c2c(cc(c1Cl)C(=O)O)[nH]c3c2CCCC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c2c(cc(c1Cl)C(=O)O)[nH]c3c2CCCC3 |
