CID 135048068

C14H15CoO7 — CID 135048068

IUPAC—
SMILESCOC(=O)C(C(=O)OC)C1[CH]C=CCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co]
InChIInChI=1S/C11H15O4.3CO.Co/c1-14-10(12)9(11(13)15-2)8-6-4-3-5-7-8;3*1-2;/h3-4,6,8-9H,5,7H2,1-2H3;;;;
InChIKeyDNLJMISKMVTLPD-UHFFFAOYSA-N
MW354.20 g/mol
LogP1.00
Rot. Bonds3

About CID 135048068

CID 135048068 (PubChem CID 135048068) has the molecular formula C14H15CoO7 and a molecular weight of 354.20 g/mol.

Molecular Properties

Compound NameCID 135048068
PubChem CID135048068
Molecular FormulaC14H15CoO7
Molecular Weight354.20 g/mol
Exact Mass354.01
IUPAC Name—
SMILESCOC(=O)C(C(=O)OC)C1[CH]C=CCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co]
InChIInChI=1S/C11H15O4.3CO.Co/c1-14-10(12)9(11(13)15-2)8-6-4-3-5-7-8;3*1-2;/h3-4,6,8-9H,5,7H2,1-2H3;;;;
InChIKeyDNLJMISKMVTLPD-UHFFFAOYSA-N
XLogP1.00
TPSA112.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze CID 135048068 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 135048068?
The IUPAC name of CID 135048068 (CID 135048068) is not available.
What is the SMILES notation for CID 135048068?
The canonical SMILES for CID 135048068 is COC(=O)C(C(=O)OC)C1[CH]C=CCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].
What is the InChIKey of CID 135048068?
The InChIKey is DNLJMISKMVTLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O4.3CO.Co/c1-14-10(12)9(11(13)15-2)8-6-4-3-5-7-8;3*1-2;/h3-4,6,8-9H,5,7H2,1-2H3;;;;.
What are the key properties of CID 135048068?
CID 135048068 has a molecular weight of 354.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135048068 is sourced from PubChem (CID 135048068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).