CID 134902801

C16H16GdK — CID 134902801

IUPAC—
SMILESC1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[Gd].[K]
InChIInChI=1S/2C8H8.Gd.K/c2*1-2-4-6-8-7-5-3-1;;/h2*1-8H;;/b2*2-1-,3-1-,4-2-,5-3-,6-4-,7-5?,8-6?,8-7?;;
InChIKeyXPVUGGDYJKZAOP-HSFJRFSNSA-N
MW404.65 g/mol
LogP4.07
Rot. Bonds

About CID 134902801

CID 134902801 (PubChem CID 134902801) has the molecular formula C16H16GdK and a molecular weight of 404.65 g/mol.

Molecular Properties

Compound NameCID 134902801
PubChem CID134902801
Molecular FormulaC16H16GdK
Molecular Weight404.65 g/mol
Exact Mass405.01
IUPAC Name—
SMILESC1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[Gd].[K]
InChIInChI=1S/2C8H8.Gd.K/c2*1-2-4-6-8-7-5-3-1;;/h2*1-8H;;/b2*2-1-,3-1-,4-2-,5-3-,6-4-,7-5?,8-6?,8-7?;;
InChIKeyXPVUGGDYJKZAOP-HSFJRFSNSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.65
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 134902801 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 134902801?
The IUPAC name of CID 134902801 (CID 134902801) is not available.
What is the SMILES notation for CID 134902801?
The canonical SMILES for CID 134902801 is C1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[Gd].[K].
What is the InChIKey of CID 134902801?
The InChIKey is XPVUGGDYJKZAOP-HSFJRFSNSA-N. The full InChI is InChI=1S/2C8H8.Gd.K/c2*1-2-4-6-8-7-5-3-1;;/h2*1-8H;;/b2*2-1-,3-1-,4-2-,5-3-,6-4-,7-5?,8-6?,8-7?;;.
What are the key properties of CID 134902801?
CID 134902801 has a molecular weight of 404.65 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902801 is sourced from PubChem (CID 134902801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).