CID 87849940

C22H16GaN2O4-2 — CID 87849940

IUPAC—
SMILESCc1ccc2cccc(C(=O)[O-])c2n1.Cc1ccc2cccc(C(=O)[O-])c2n1.[Ga]
InChIInChI=1S/2C11H9NO2.Ga/c2*1-7-5-6-8-3-2-4-9(11(13)14)10(8)12-7;/h2*2-6H,1H3,(H,13,14);/p-2
InChIKeyWRABKPYYASNRTN-UHFFFAOYSA-L
MW442.10 g/mol
LogP1.43
Rot. Bonds2

About CID 87849940

CID 87849940 (PubChem CID 87849940) has the molecular formula C22H16GaN2O4-2 and a molecular weight of 442.10 g/mol.

Molecular Properties

Compound NameCID 87849940
PubChem CID87849940
Molecular FormulaC22H16GaN2O4-2
Molecular Weight442.10 g/mol
Exact Mass441.04
IUPAC Name—
SMILESCc1ccc2cccc(C(=O)[O-])c2n1.Cc1ccc2cccc(C(=O)[O-])c2n1.[Ga]
InChIInChI=1S/2C11H9NO2.Ga/c2*1-7-5-6-8-3-2-4-9(11(13)14)10(8)12-7;/h2*2-6H,1H3,(H,13,14);/p-2
InChIKeyWRABKPYYASNRTN-UHFFFAOYSA-L
XLogP1.43
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.10
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 87849940?
The IUPAC name of CID 87849940 (CID 87849940) is not available.
What is the SMILES notation for CID 87849940?
The canonical SMILES for CID 87849940 is Cc1ccc2cccc(C(=O)[O-])c2n1.Cc1ccc2cccc(C(=O)[O-])c2n1.[Ga].
What is the InChIKey of CID 87849940?
The InChIKey is WRABKPYYASNRTN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H9NO2.Ga/c2*1-7-5-6-8-3-2-4-9(11(13)14)10(8)12-7;/h2*2-6H,1H3,(H,13,14);/p-2.
What are the key properties of CID 87849940?
CID 87849940 has a molecular weight of 442.10 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87849940 is sourced from PubChem (CID 87849940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).