CID 89036709

C10H7BO3S — CID 89036709

IUPAC—
SMILES[B]c1c(C(O)C(=O)O)sc2ccccc12
InChIInChI=1S/C10H7BO3S/c11-7-5-3-1-2-4-6(5)15-9(7)8(12)10(13)14/h1-4,8,12H,(H,13,14)
InChIKeyYQZURIVOJHSUCY-UHFFFAOYSA-N
MW218.04 g/mol
LogP0.81
Rot. Bonds2

About CID 89036709

CID 89036709 (PubChem CID 89036709) has the molecular formula C10H7BO3S and a molecular weight of 218.04 g/mol.

Molecular Properties

Compound NameCID 89036709
PubChem CID89036709
Molecular FormulaC10H7BO3S
Molecular Weight218.04 g/mol
Exact Mass218.02
IUPAC Name—
SMILES[B]c1c(C(O)C(=O)O)sc2ccccc12
InChIInChI=1S/C10H7BO3S/c11-7-5-3-1-2-4-6(5)15-9(7)8(12)10(13)14/h1-4,8,12H,(H,13,14)
InChIKeyYQZURIVOJHSUCY-UHFFFAOYSA-N
XLogP0.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 89036710
CID 89036710
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
ethyl 2-hydroxy-2-(2-phenyl-1-benzothiophen-3-yl)acetate
CID 70813709
2-[(3-methyl-1-benzothiophen-2-yl)methyl]propanedioic acid
CID 170895361
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
methyl 2,3-dihydroxy-3-(3-methyl-1-benzothiophen-2-yl)propanoate
CID 171865416

Frequently Asked Questions

What is the IUPAC name of CID 89036709?
The IUPAC name of CID 89036709 (CID 89036709) is not available.
What is the SMILES notation for CID 89036709?
The canonical SMILES for CID 89036709 is [B]c1c(C(O)C(=O)O)sc2ccccc12.
What is the InChIKey of CID 89036709?
The InChIKey is YQZURIVOJHSUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BO3S/c11-7-5-3-1-2-4-6(5)15-9(7)8(12)10(13)14/h1-4,8,12H,(H,13,14).
What are the key properties of CID 89036709?
CID 89036709 has a molecular weight of 218.04 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89036709 is sourced from PubChem (CID 89036709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).