CID 20678155

C19H24GaNO2 — CID 20678155

IUPAC—
SMILESCCCCCCCCCC(=O)c1ccc2cccnc2c1O[Ga]
InChIInChI=1S/C19H25NO2.Ga/c1-2-3-4-5-6-7-8-11-17(21)16-13-12-15-10-9-14-20-18(15)19(16)22;/h9-10,12-14,22H,2-8,11H2,1H3;/q;+1/p-1
InChIKeyCCRWUHUNDUAGRP-UHFFFAOYSA-M
MW368.13 g/mol
LogP5.02
Rot. Bonds10

About CID 20678155

CID 20678155 (PubChem CID 20678155) has the molecular formula C19H24GaNO2 and a molecular weight of 368.13 g/mol.

Molecular Properties

Compound NameCID 20678155
PubChem CID20678155
Molecular FormulaC19H24GaNO2
Molecular Weight368.13 g/mol
Exact Mass367.11
IUPAC Name—
SMILESCCCCCCCCCC(=O)c1ccc2cccnc2c1O[Ga]
InChIInChI=1S/C19H25NO2.Ga/c1-2-3-4-5-6-7-8-11-17(21)16-13-12-15-10-9-14-20-18(15)19(16)22;/h9-10,12-14,22H,2-8,11H2,1H3;/q;+1/p-1
InChIKeyCCRWUHUNDUAGRP-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 20678155?
The IUPAC name of CID 20678155 (CID 20678155) is not available.
What is the SMILES notation for CID 20678155?
The canonical SMILES for CID 20678155 is CCCCCCCCCC(=O)c1ccc2cccnc2c1O[Ga].
What is the InChIKey of CID 20678155?
The InChIKey is CCRWUHUNDUAGRP-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H25NO2.Ga/c1-2-3-4-5-6-7-8-11-17(21)16-13-12-15-10-9-14-20-18(15)19(16)22;/h9-10,12-14,22H,2-8,11H2,1H3;/q;+1/p-1.
What are the key properties of CID 20678155?
CID 20678155 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 20678155 is sourced from PubChem (CID 20678155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).