CID 154409693

HCrO7S-3 — CID 154409693

IUPAC—
SMILESO=[Cr](=O)([O-])[O-].O=[S-](=O)O
InChIInChI=1S/Cr.HO3S.4O/c;1-4(2)3;;;;/h;(H,1,2,3);;;;/q;-1;;;2*-1
InChIKeyPCBMDVLENWUTCA-UHFFFAOYSA-N
MW197.06 g/mol
LogP-2.85
Rot. Bonds

About CID 154409693

CID 154409693 (PubChem CID 154409693) has the molecular formula HCrO7S-3 and a molecular weight of 197.06 g/mol.

Molecular Properties

Compound NameCID 154409693
PubChem CID154409693
Molecular FormulaHCrO7S-3
Molecular Weight197.06 g/mol
Exact Mass196.89
IUPAC Name—
SMILESO=[Cr](=O)([O-])[O-].O=[S-](=O)O
InChIInChI=1S/Cr.HO3S.4O/c;1-4(2)3;;;;/h;(H,1,2,3);;;;/q;-1;;;2*-1
InChIKeyPCBMDVLENWUTCA-UHFFFAOYSA-N
XLogP-2.85
TPSA134.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.06
LogP ≤ 5-2.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 154409693?
The IUPAC name of CID 154409693 (CID 154409693) is not available.
What is the SMILES notation for CID 154409693?
The canonical SMILES for CID 154409693 is O=[Cr](=O)([O-])[O-].O=[S-](=O)O.
What is the InChIKey of CID 154409693?
The InChIKey is PCBMDVLENWUTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/Cr.HO3S.4O/c;1-4(2)3;;;;/h;(H,1,2,3);;;;/q;-1;;;2*-1.
What are the key properties of CID 154409693?
CID 154409693 has a molecular weight of 197.06 g/mol, XLogP of -2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154409693 is sourced from PubChem (CID 154409693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).