CID 23295394

C7H8NO4S- — CID 23295394

IUPAC—
SMILESNS(=O)[O-].O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.H3NO2S/c8-7(9)6-4-2-1-3-5-6;1-4(2)3/h1-5H,(H,8,9);1H2,(H,2,3)/p-1
InChIKeyNJTYRPRZSUNDFF-UHFFFAOYSA-M
MW202.21 g/mol
LogP0.12
Rot. Bonds1

About CID 23295394

CID 23295394 (PubChem CID 23295394) has the molecular formula C7H8NO4S- and a molecular weight of 202.21 g/mol.

Molecular Properties

Compound NameCID 23295394
PubChem CID23295394
Molecular FormulaC7H8NO4S-
Molecular Weight202.21 g/mol
Exact Mass202.02
IUPAC Name—
SMILESNS(=O)[O-].O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.H3NO2S/c8-7(9)6-4-2-1-3-5-6;1-4(2)3/h1-5H,(H,8,9);1H2,(H,2,3)/p-1
InChIKeyNJTYRPRZSUNDFF-UHFFFAOYSA-M
XLogP0.12
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 23295394?
The IUPAC name of CID 23295394 (CID 23295394) is not available.
What is the SMILES notation for CID 23295394?
The canonical SMILES for CID 23295394 is NS(=O)[O-].O=C(O)c1ccccc1.
What is the InChIKey of CID 23295394?
The InChIKey is NJTYRPRZSUNDFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2.H3NO2S/c8-7(9)6-4-2-1-3-5-6;1-4(2)3/h1-5H,(H,8,9);1H2,(H,2,3)/p-1.
What are the key properties of CID 23295394?
CID 23295394 has a molecular weight of 202.21 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23295394 is sourced from PubChem (CID 23295394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).