CID 6368400

C19H16GeO2- — CID 6368400

IUPAC—
SMILESO=C[O-].c1ccc([Ge](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15Ge.CH2O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-3/h1-15H;1H,(H,2,3)/p-1
InChIKeySBQIZIQPNALQFX-UHFFFAOYSA-M
MW348.95 g/mol
LogP0.57
Rot. Bonds3

About CID 6368400

CID 6368400 (PubChem CID 6368400) has the molecular formula C19H16GeO2- and a molecular weight of 348.95 g/mol.

Molecular Properties

Compound NameCID 6368400
PubChem CID6368400
Molecular FormulaC19H16GeO2-
Molecular Weight348.95 g/mol
Exact Mass350.04
IUPAC Name—
SMILESO=C[O-].c1ccc([Ge](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15Ge.CH2O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-3/h1-15H;1H,(H,2,3)/p-1
InChIKeySBQIZIQPNALQFX-UHFFFAOYSA-M
XLogP0.57
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.95
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 6368400?
The IUPAC name of CID 6368400 (CID 6368400) is not available.
What is the SMILES notation for CID 6368400?
The canonical SMILES for CID 6368400 is O=C[O-].c1ccc([Ge](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 6368400?
The InChIKey is SBQIZIQPNALQFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15Ge.CH2O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-3/h1-15H;1H,(H,2,3)/p-1.
What are the key properties of CID 6368400?
CID 6368400 has a molecular weight of 348.95 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6368400 is sourced from PubChem (CID 6368400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).