CID 20678141

C17H18GaNO2 — CID 20678141

IUPAC—
SMILESO=C(CCC1CCCC1)c1ccc2cccnc2c1O[Ga]
InChIInChI=1S/C17H19NO2.Ga/c19-15(10-7-12-4-1-2-5-12)14-9-8-13-6-3-11-18-16(13)17(14)20;/h3,6,8-9,11-12,20H,1-2,4-5,7,10H2;/q;+1/p-1
InChIKeyWIQPZEBIYKJVSI-UHFFFAOYSA-M
MW338.06 g/mol
LogP3.85
Rot. Bonds5

About CID 20678141

CID 20678141 (PubChem CID 20678141) has the molecular formula C17H18GaNO2 and a molecular weight of 338.06 g/mol.

Molecular Properties

Compound NameCID 20678141
PubChem CID20678141
Molecular FormulaC17H18GaNO2
Molecular Weight338.06 g/mol
Exact Mass337.06
IUPAC Name—
SMILESO=C(CCC1CCCC1)c1ccc2cccnc2c1O[Ga]
InChIInChI=1S/C17H19NO2.Ga/c19-15(10-7-12-4-1-2-5-12)14-9-8-13-6-3-11-18-16(13)17(14)20;/h3,6,8-9,11-12,20H,1-2,4-5,7,10H2;/q;+1/p-1
InChIKeyWIQPZEBIYKJVSI-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 20678141?
The IUPAC name of CID 20678141 (CID 20678141) is not available.
What is the SMILES notation for CID 20678141?
The canonical SMILES for CID 20678141 is O=C(CCC1CCCC1)c1ccc2cccnc2c1O[Ga].
What is the InChIKey of CID 20678141?
The InChIKey is WIQPZEBIYKJVSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19NO2.Ga/c19-15(10-7-12-4-1-2-5-12)14-9-8-13-6-3-11-18-16(13)17(14)20;/h3,6,8-9,11-12,20H,1-2,4-5,7,10H2;/q;+1/p-1.
What are the key properties of CID 20678141?
CID 20678141 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 20678141 is sourced from PubChem (CID 20678141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).