General Information of the Compound
| Compound ID |
CP0556271
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(1-isothiocyanatopropan-2-yl)phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H11NOS
|
||||||||||||||||||
| Molecular Weight |
193.271
|
||||||||||||||||||
| Canonical SMILES |
CC(CN=C=S)c1ccc(O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H11NOS/c1-8(6-11-7-13)9-2-4-10(12)5-3-9/h2-5,8,12H,6H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WTDFRIJJYCZRLG-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound