CID 162382667

C20H14GaN2O2 — CID 162382667

IUPAC—
SMILESC1=N/c2ccccc2/N=C/c2ccccc2O[Ga]Oc2ccccc2/1
InChIInChI=1S/C20H16N2O2.Ga/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-14,23-24H;/q;+2/p-2/b21-13+,22-14+;
InChIKeyCQENKWBDRYROKB-JKBLJYNNSA-L
MW384.07 g/mol
LogP4.49
Rot. Bonds

About CID 162382667

CID 162382667 (PubChem CID 162382667) has the molecular formula C20H14GaN2O2 and a molecular weight of 384.07 g/mol.

Molecular Properties

Compound NameCID 162382667
PubChem CID162382667
Molecular FormulaC20H14GaN2O2
Molecular Weight384.07 g/mol
Exact Mass383.03
IUPAC Name—
SMILESC1=N/c2ccccc2/N=C/c2ccccc2O[Ga]Oc2ccccc2/1
InChIInChI=1S/C20H16N2O2.Ga/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-14,23-24H;/q;+2/p-2/b21-13+,22-14+;
InChIKeyCQENKWBDRYROKB-JKBLJYNNSA-L
XLogP4.49
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 162382667?
The IUPAC name of CID 162382667 (CID 162382667) is not available.
What is the SMILES notation for CID 162382667?
The canonical SMILES for CID 162382667 is C1=N/c2ccccc2/N=C/c2ccccc2O[Ga]Oc2ccccc2/1.
What is the InChIKey of CID 162382667?
The InChIKey is CQENKWBDRYROKB-JKBLJYNNSA-L. The full InChI is InChI=1S/C20H16N2O2.Ga/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-14,23-24H;/q;+2/p-2/b21-13+,22-14+;.
What are the key properties of CID 162382667?
CID 162382667 has a molecular weight of 384.07 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162382667 is sourced from PubChem (CID 162382667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).