General Information of the Compound
Compound ID
CP0198720
Compound Name
3-Hydroxy-benzoic acid
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Structure
Formula
C7H6O3
Molecular Weight
138.122
Canonical SMILES
OC(=O)c1cccc(O)c1
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InChI
InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
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InChIKey
IJFXRHURBJZNAO-UHFFFAOYSA-N
CAS
10476-50-3
99-06-9
Physicochemical Property
logP
1.0904
Rotatable Bonds
1
Heavy Atom Count
10
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
10

"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).

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PubChem ID
CID: 7420
SID: 15219055
ChEMBL ID
CHEMBL65369
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
Protein ID: PT01158, Tyrosine-protein phosphatase non-receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS