Drug ID:   | NPD9078 |
Drug Name:   | |
Molecular Formula:   | C6H6Cl6 |
Canonical SMILES:   | ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl |
Standard InCHI:   | InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H |
Standard InCHIKey:   | JLYXXMFPNIAWKQ-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Molecular Weight   | 287.86 |
ALogP   | 4.1634 |
MLogP   | 1.46 |
XLogP   | 3.834 |
HDA   | 0 |
HBD   | 0 |
Rotatable Bonds   | 6 |
TPSA   | 0 |
RO5 Violation   | 0 |