CID 87183669

C7H6GaO3 — CID 87183669

IUPAC—
SMILESO=C(O)c1ccccc1O.[Ga]
InChIInChI=1S/C7H6O3.Ga/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);
InChIKeyYIZFXKWQPHEYAJ-UHFFFAOYSA-N
MW207.84 g/mol
LogP0.71
Rot. Bonds1

About CID 87183669

CID 87183669 (PubChem CID 87183669) has the molecular formula C7H6GaO3 and a molecular weight of 207.84 g/mol.

Molecular Properties

Compound NameCID 87183669
PubChem CID87183669
Molecular FormulaC7H6GaO3
Molecular Weight207.84 g/mol
Exact Mass206.96
IUPAC Name—
SMILESO=C(O)c1ccccc1O.[Ga]
InChIInChI=1S/C7H6O3.Ga/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);
InChIKeyYIZFXKWQPHEYAJ-UHFFFAOYSA-N
XLogP0.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.84
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 87183669?
The IUPAC name of CID 87183669 (CID 87183669) is not available.
What is the SMILES notation for CID 87183669?
The canonical SMILES for CID 87183669 is O=C(O)c1ccccc1O.[Ga].
What is the InChIKey of CID 87183669?
The InChIKey is YIZFXKWQPHEYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.Ga/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);.
What are the key properties of CID 87183669?
CID 87183669 has a molecular weight of 207.84 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87183669 is sourced from PubChem (CID 87183669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).