CID 20678139

C17H18GaNO2 — CID 20678139

IUPAC—
SMILESO=C(CCC1CCCC1)c1ccc(O[Ga])c2ncccc12
InChIInChI=1S/C17H19NO2.Ga/c19-15(9-7-12-4-1-2-5-12)13-8-10-16(20)17-14(13)6-3-11-18-17;/h3,6,8,10-12,20H,1-2,4-5,7,9H2;/q;+1/p-1
InChIKeyJQIMPHUJYPWWMX-UHFFFAOYSA-M
MW338.06 g/mol
LogP3.85
Rot. Bonds5

About CID 20678139

CID 20678139 (PubChem CID 20678139) has the molecular formula C17H18GaNO2 and a molecular weight of 338.06 g/mol.

Molecular Properties

Compound NameCID 20678139
PubChem CID20678139
Molecular FormulaC17H18GaNO2
Molecular Weight338.06 g/mol
Exact Mass337.06
IUPAC Name—
SMILESO=C(CCC1CCCC1)c1ccc(O[Ga])c2ncccc12
InChIInChI=1S/C17H19NO2.Ga/c19-15(9-7-12-4-1-2-5-12)13-8-10-16(20)17-14(13)6-3-11-18-17;/h3,6,8,10-12,20H,1-2,4-5,7,9H2;/q;+1/p-1
InChIKeyJQIMPHUJYPWWMX-UHFFFAOYSA-M
XLogP3.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.06
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 20678139?
The IUPAC name of CID 20678139 (CID 20678139) is not available.
What is the SMILES notation for CID 20678139?
The canonical SMILES for CID 20678139 is O=C(CCC1CCCC1)c1ccc(O[Ga])c2ncccc12.
What is the InChIKey of CID 20678139?
The InChIKey is JQIMPHUJYPWWMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19NO2.Ga/c19-15(9-7-12-4-1-2-5-12)13-8-10-16(20)17-14(13)6-3-11-18-17;/h3,6,8,10-12,20H,1-2,4-5,7,9H2;/q;+1/p-1.
What are the key properties of CID 20678139?
CID 20678139 has a molecular weight of 338.06 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20678139 is sourced from PubChem (CID 20678139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).