4-[2-[4-(4-Chlorophenyl)piperidin-1-yl]ethyl]benzene-1,2-diol
PubChem CID: 204007
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| Topological Polar Surface Area | 43.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]benzene-1,2-diol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Is Pains | True |
| Molecular Formula | C19H22ClNO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ACQDTADHVBZARB-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 4-[2-[4-(4-Chlorophenyl)piperidin-1-yl]ethyl]benzene-1,2-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 331.134 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 331.134 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 331.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.772613556521738 |
| Inchi | InChI=1S/C19H22ClNO2/c20-17-4-2-15(3-5-17)16-8-11-21(12-9-16)10-7-14-1-6-18(22)19(23)13-14/h1-6,13,16,22-23H,7-12H2 |
| Smiles | C1CN(CCC1C2=CC=C(C=C2)Cl)CCC3=CC(=C(C=C3)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ligustrum Lucidum (Plant) Rel Props:Source_db:cmaup_ingredients