CID 20678154

C19H24GaNO2 — CID 20678154

IUPAC—
SMILESCCCCCCCCCC(=O)c1ccc(O[Ga])c2ncccc12
InChIInChI=1S/C19H25NO2.Ga/c1-2-3-4-5-6-7-8-11-17(21)15-12-13-18(22)19-16(15)10-9-14-20-19;/h9-10,12-14,22H,2-8,11H2,1H3;/q;+1/p-1
InChIKeyGDRWVIAJOVTPCP-UHFFFAOYSA-M
MW368.13 g/mol
LogP5.02
Rot. Bonds10

About CID 20678154

CID 20678154 (PubChem CID 20678154) has the molecular formula C19H24GaNO2 and a molecular weight of 368.13 g/mol.

Molecular Properties

Compound NameCID 20678154
PubChem CID20678154
Molecular FormulaC19H24GaNO2
Molecular Weight368.13 g/mol
Exact Mass367.11
IUPAC Name—
SMILESCCCCCCCCCC(=O)c1ccc(O[Ga])c2ncccc12
InChIInChI=1S/C19H25NO2.Ga/c1-2-3-4-5-6-7-8-11-17(21)15-12-13-18(22)19-16(15)10-9-14-20-19;/h9-10,12-14,22H,2-8,11H2,1H3;/q;+1/p-1
InChIKeyGDRWVIAJOVTPCP-UHFFFAOYSA-M
XLogP5.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.13
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 20678154?
The IUPAC name of CID 20678154 (CID 20678154) is not available.
What is the SMILES notation for CID 20678154?
The canonical SMILES for CID 20678154 is CCCCCCCCCC(=O)c1ccc(O[Ga])c2ncccc12.
What is the InChIKey of CID 20678154?
The InChIKey is GDRWVIAJOVTPCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H25NO2.Ga/c1-2-3-4-5-6-7-8-11-17(21)15-12-13-18(22)19-16(15)10-9-14-20-19;/h9-10,12-14,22H,2-8,11H2,1H3;/q;+1/p-1.
What are the key properties of CID 20678154?
CID 20678154 has a molecular weight of 368.13 g/mol, XLogP of 5.02, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20678154 is sourced from PubChem (CID 20678154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).