CID 88746407

C14H13GeNO4 — CID 88746407

IUPAC—
SMILESCN(C(=O)c1ccccc1)c1ccc([Ge]OOO)cc1
InChIInChI=1S/C14H13GeNO4/c1-16(14(17)11-5-3-2-4-6-11)13-9-7-12(8-10-13)15-19-20-18/h2-10,18H,1H3
InChIKeyXYWXYDPEOYDXHE-UHFFFAOYSA-N
MW331.87 g/mol
LogP1.63
Rot. Bonds5

About CID 88746407

CID 88746407 (PubChem CID 88746407) has the molecular formula C14H13GeNO4 and a molecular weight of 331.87 g/mol.

Molecular Properties

Compound NameCID 88746407
PubChem CID88746407
Molecular FormulaC14H13GeNO4
Molecular Weight331.87 g/mol
Exact Mass333.01
IUPAC Name—
SMILESCN(C(=O)c1ccccc1)c1ccc([Ge]OOO)cc1
InChIInChI=1S/C14H13GeNO4/c1-16(14(17)11-5-3-2-4-6-11)13-9-7-12(8-10-13)15-19-20-18/h2-10,18H,1H3
InChIKeyXYWXYDPEOYDXHE-UHFFFAOYSA-N
XLogP1.63
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 88746407?
The IUPAC name of CID 88746407 (CID 88746407) is not available.
What is the SMILES notation for CID 88746407?
The canonical SMILES for CID 88746407 is CN(C(=O)c1ccccc1)c1ccc([Ge]OOO)cc1.
What is the InChIKey of CID 88746407?
The InChIKey is XYWXYDPEOYDXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13GeNO4/c1-16(14(17)11-5-3-2-4-6-11)13-9-7-12(8-10-13)15-19-20-18/h2-10,18H,1H3.
What are the key properties of CID 88746407?
CID 88746407 has a molecular weight of 331.87 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88746407 is sourced from PubChem (CID 88746407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).