CID 173009222

C20H19ClGaN2O2 — CID 173009222

IUPAC—
SMILESCc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Cl.[Ga]
InChIInChI=1S/2C10H9NO.ClH.Ga/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h2*2-6,12H,1H3;1H;
InChIKeyFSIWHYDBQRHRCJ-UHFFFAOYSA-N
MW424.56 g/mol
LogP4.54
Rot. Bonds

About CID 173009222

CID 173009222 (PubChem CID 173009222) has the molecular formula C20H19ClGaN2O2 and a molecular weight of 424.56 g/mol.

Molecular Properties

Compound NameCID 173009222
PubChem CID173009222
Molecular FormulaC20H19ClGaN2O2
Molecular Weight424.56 g/mol
Exact Mass423.04
IUPAC Name—
SMILESCc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Cl.[Ga]
InChIInChI=1S/2C10H9NO.ClH.Ga/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h2*2-6,12H,1H3;1H;
InChIKeyFSIWHYDBQRHRCJ-UHFFFAOYSA-N
XLogP4.54
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173009222?
The IUPAC name of CID 173009222 (CID 173009222) is not available.
What is the SMILES notation for CID 173009222?
The canonical SMILES for CID 173009222 is Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Cl.[Ga].
What is the InChIKey of CID 173009222?
The InChIKey is FSIWHYDBQRHRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9NO.ClH.Ga/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h2*2-6,12H,1H3;1H;.
What are the key properties of CID 173009222?
CID 173009222 has a molecular weight of 424.56 g/mol, XLogP of 4.54, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173009222 is sourced from PubChem (CID 173009222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).