CID 23228407

C17H27SeTi+2 — CID 23228407

IUPAC—
SMILESC1CCCC1.C1CCCC1.Cc1ccc([Se])cc1.[Ti+2]
InChIInChI=1S/C7H7Se.2C5H10.Ti/c1-6-2-4-7(8)5-3-6;2*1-2-4-5-3-1;/h2-5H,1H3;2*1-5H2;/q;;;+2
InChIKeyPLNMNWAKANAMPJ-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.69
Rot. Bonds

About CID 23228407

CID 23228407 (PubChem CID 23228407) has the molecular formula C17H27SeTi+2 and a molecular weight of 358.23 g/mol.

Molecular Properties

Compound NameCID 23228407
PubChem CID23228407
Molecular FormulaC17H27SeTi+2
Molecular Weight358.23 g/mol
Exact Mass359.07
IUPAC Name—
SMILESC1CCCC1.C1CCCC1.Cc1ccc([Se])cc1.[Ti+2]
InChIInChI=1S/C7H7Se.2C5H10.Ti/c1-6-2-4-7(8)5-3-6;2*1-2-4-5-3-1;/h2-5H,1H3;2*1-5H2;/q;;;+2
InChIKeyPLNMNWAKANAMPJ-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 23228407?
The IUPAC name of CID 23228407 (CID 23228407) is not available.
What is the SMILES notation for CID 23228407?
The canonical SMILES for CID 23228407 is C1CCCC1.C1CCCC1.Cc1ccc([Se])cc1.[Ti+2].
What is the InChIKey of CID 23228407?
The InChIKey is PLNMNWAKANAMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Se.2C5H10.Ti/c1-6-2-4-7(8)5-3-6;2*1-2-4-5-3-1;/h2-5H,1H3;2*1-5H2;/q;;;+2.
What are the key properties of CID 23228407?
CID 23228407 has a molecular weight of 358.23 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23228407 is sourced from PubChem (CID 23228407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).