CID 134898638

C21H15MnO2 — CID 134898638

IUPAC—
SMILESC(#Cc1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[CH]1C=CC=C1.[Mn]
InChIInChI=1S/C14H10.C5H5.2CO.Mn/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-4-5-3-1;2*1-2;/h1-10H;1-5H;;;
InChIKeyCLOKARMJFJHGQK-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.33
Rot. Bonds

About CID 134898638

CID 134898638 (PubChem CID 134898638) has the molecular formula C21H15MnO2 and a molecular weight of 354.29 g/mol.

Molecular Properties

Compound NameCID 134898638
PubChem CID134898638
Molecular FormulaC21H15MnO2
Molecular Weight354.29 g/mol
Exact Mass354.05
IUPAC Name—
SMILESC(#Cc1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[CH]1C=CC=C1.[Mn]
InChIInChI=1S/C14H10.C5H5.2CO.Mn/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-4-5-3-1;2*1-2;/h1-10H;1-5H;;;
InChIKeyCLOKARMJFJHGQK-UHFFFAOYSA-N
XLogP4.33
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134898638?
The IUPAC name of CID 134898638 (CID 134898638) is not available.
What is the SMILES notation for CID 134898638?
The canonical SMILES for CID 134898638 is C(#Cc1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[CH]1C=CC=C1.[Mn].
What is the InChIKey of CID 134898638?
The InChIKey is CLOKARMJFJHGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C5H5.2CO.Mn/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-4-5-3-1;2*1-2;/h1-10H;1-5H;;;.
What are the key properties of CID 134898638?
CID 134898638 has a molecular weight of 354.29 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134898638 is sourced from PubChem (CID 134898638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).