CID 139146863

C16H12CsO8 — CID 139146863

IUPAC—
SMILESO=C(O)c1cccc(C(=O)O)c1.O=C(O)c1cccc(C(=O)O)c1.[Cs]
InChIInChI=1S/2C8H6O4.Cs/c2*9-7(10)5-2-1-3-6(4-5)8(11)12;/h2*1-4H,(H,9,10)(H,11,12);
InChIKeyQSUKAJUKSZBDBA-UHFFFAOYSA-N
MW465.17 g/mol
LogP1.79
Rot. Bonds4

About CID 139146863

CID 139146863 (PubChem CID 139146863) has the molecular formula C16H12CsO8 and a molecular weight of 465.17 g/mol.

Molecular Properties

Compound NameCID 139146863
PubChem CID139146863
Molecular FormulaC16H12CsO8
Molecular Weight465.17 g/mol
Exact Mass464.96
IUPAC Name—
SMILESO=C(O)c1cccc(C(=O)O)c1.O=C(O)c1cccc(C(=O)O)c1.[Cs]
InChIInChI=1S/2C8H6O4.Cs/c2*9-7(10)5-2-1-3-6(4-5)8(11)12;/h2*1-4H,(H,9,10)(H,11,12);
InChIKeyQSUKAJUKSZBDBA-UHFFFAOYSA-N
XLogP1.79
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.17
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 139146863?
The IUPAC name of CID 139146863 (CID 139146863) is not available.
What is the SMILES notation for CID 139146863?
The canonical SMILES for CID 139146863 is O=C(O)c1cccc(C(=O)O)c1.O=C(O)c1cccc(C(=O)O)c1.[Cs].
What is the InChIKey of CID 139146863?
The InChIKey is QSUKAJUKSZBDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6O4.Cs/c2*9-7(10)5-2-1-3-6(4-5)8(11)12;/h2*1-4H,(H,9,10)(H,11,12);.
What are the key properties of CID 139146863?
CID 139146863 has a molecular weight of 465.17 g/mol, XLogP of 1.79, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139146863 is sourced from PubChem (CID 139146863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).