7,8-dichloro-4,11,11-trimethyl-3,4-dihydro-1,4-methanophenazine-1(2H)-carboxylic acid
Chemical Structure Depiction of
7,8-dichloro-4,11,11-trimethyl-3,4-dihydro-1,4-methanophenazine-1(2H)-carboxylic acid
7,8-dichloro-4,11,11-trimethyl-3,4-dihydro-1,4-methanophenazine-1(2H)-carboxylic acid
Compound characteristics
| Compound ID: | 8016-5443 |
| Compound Name: | 7,8-dichloro-4,11,11-trimethyl-3,4-dihydro-1,4-methanophenazine-1(2H)-carboxylic acid |
| Molecular Weight: | 351.23 |
| Molecular Formula: | C17 H16 Cl2 N2 O2 |
| Smiles: | CC12CCC(C(O)=O)(c3c1nc1cc(c(cc1n3)[Cl])[Cl])C2(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2259 |
| logD: | 1.2485 |
| logSw: | -4.0698 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.875 |
| InChI Key: | RRVIKQNVFGIWFP-UHFFFAOYSA-N |