CID 20665518

C10H8GaNO — CID 20665518

IUPAC—
SMILESCc1ccc2cccc(O[Ga])c2n1
InChIInChI=1S/C10H9NO.Ga/c1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h2-6,12H,1H3;/q;+1/p-1
InChIKeyIBPLLQOCRNBJHA-UHFFFAOYSA-M
MW227.90 g/mol
LogP2.01
Rot. Bonds1

About CID 20665518

CID 20665518 (PubChem CID 20665518) has the molecular formula C10H8GaNO and a molecular weight of 227.90 g/mol.

Molecular Properties

Compound NameCID 20665518
PubChem CID20665518
Molecular FormulaC10H8GaNO
Molecular Weight227.90 g/mol
Exact Mass226.99
IUPAC Name—
SMILESCc1ccc2cccc(O[Ga])c2n1
InChIInChI=1S/C10H9NO.Ga/c1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h2-6,12H,1H3;/q;+1/p-1
InChIKeyIBPLLQOCRNBJHA-UHFFFAOYSA-M
XLogP2.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.90
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 20665518?
The IUPAC name of CID 20665518 (CID 20665518) is not available.
What is the SMILES notation for CID 20665518?
The canonical SMILES for CID 20665518 is Cc1ccc2cccc(O[Ga])c2n1.
What is the InChIKey of CID 20665518?
The InChIKey is IBPLLQOCRNBJHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO.Ga/c1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h2-6,12H,1H3;/q;+1/p-1.
What are the key properties of CID 20665518?
CID 20665518 has a molecular weight of 227.90 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20665518 is sourced from PubChem (CID 20665518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).