CID 11485507

C17H15MnO4S — CID 11485507

IUPAC—
SMILESCO[C]1[CH][CH][C](Sc2ccc(C)cc2)C[CH]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C14H15OS.3CO.Mn/c1-11-3-7-13(8-4-11)16-14-9-5-12(15-2)6-10-14;3*1-2;/h3-9H,10H2,1-2H3;;;;
InChIKeyLJXNLFCWTCZXDQ-UHFFFAOYSA-N
MW370.31 g/mol
LogP3.70
Rot. Bonds3

About CID 11485507

CID 11485507 (PubChem CID 11485507) has the molecular formula C17H15MnO4S and a molecular weight of 370.31 g/mol.

Molecular Properties

Compound NameCID 11485507
PubChem CID11485507
Molecular FormulaC17H15MnO4S
Molecular Weight370.31 g/mol
Exact Mass370.01
IUPAC Name—
SMILESCO[C]1[CH][CH][C](Sc2ccc(C)cc2)C[CH]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C14H15OS.3CO.Mn/c1-11-3-7-13(8-4-11)16-14-9-5-12(15-2)6-10-14;3*1-2;/h3-9H,10H2,1-2H3;;;;
InChIKeyLJXNLFCWTCZXDQ-UHFFFAOYSA-N
XLogP3.70
TPSA68.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11485507?
The IUPAC name of CID 11485507 (CID 11485507) is not available.
What is the SMILES notation for CID 11485507?
The canonical SMILES for CID 11485507 is CO[C]1[CH][CH][C](Sc2ccc(C)cc2)C[CH]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].
What is the InChIKey of CID 11485507?
The InChIKey is LJXNLFCWTCZXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15OS.3CO.Mn/c1-11-3-7-13(8-4-11)16-14-9-5-12(15-2)6-10-14;3*1-2;/h3-9H,10H2,1-2H3;;;;.
What are the key properties of CID 11485507?
CID 11485507 has a molecular weight of 370.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11485507 is sourced from PubChem (CID 11485507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).