CID 174801128

H3CaFeMnMoSeZn — CID 174801128

IUPAC—
SMILES[Ca+2].[Fe].[H-].[H-].[Mn].[Mo].[SeH].[Zn]
InChIInChI=1S/Ca.Fe.Mn.Mo.HSe.Zn.2H/h;;;;1H;;;/q+2;;;;;;2*-1
InChIKeyHWQQOMBDJGNYKG-UHFFFAOYSA-N
MW394.17 g/mol
LogP-0.81
Rot. Bonds

About CID 174801128

CID 174801128 (PubChem CID 174801128) has the molecular formula H3CaFeMnMoSeZn and a molecular weight of 394.17 g/mol.

Molecular Properties

Compound NameCID 174801128
PubChem CID174801128
Molecular FormulaH3CaFeMnMoSeZn
Molecular Weight394.17 g/mol
Exact Mass395.61
IUPAC Name—
SMILES[Ca+2].[Fe].[H-].[H-].[Mn].[Mo].[SeH].[Zn]
InChIInChI=1S/Ca.Fe.Mn.Mo.HSe.Zn.2H/h;;;;1H;;;/q+2;;;;;;2*-1
InChIKeyHWQQOMBDJGNYKG-UHFFFAOYSA-N
XLogP-0.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.17
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174801128?
The IUPAC name of CID 174801128 (CID 174801128) is not available.
What is the SMILES notation for CID 174801128?
The canonical SMILES for CID 174801128 is [Ca+2].[Fe].[H-].[H-].[Mn].[Mo].[SeH].[Zn].
What is the InChIKey of CID 174801128?
The InChIKey is HWQQOMBDJGNYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Fe.Mn.Mo.HSe.Zn.2H/h;;;;1H;;;/q+2;;;;;;2*-1.
What are the key properties of CID 174801128?
CID 174801128 has a molecular weight of 394.17 g/mol, XLogP of -0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174801128 is sourced from PubChem (CID 174801128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).