CID 134902406

C16H16KSc — CID 134902406

IUPAC—
SMILESC1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[Sc]
InChIInChI=1S/2C8H8.K.Sc/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?;;
InChIKeyKLXXFVYJCQTQGH-HSFJRFSNSA-N
MW292.36 g/mol
LogP4.07
Rot. Bonds

About CID 134902406

CID 134902406 (PubChem CID 134902406) has the molecular formula C16H16KSc and a molecular weight of 292.36 g/mol.

Molecular Properties

Compound NameCID 134902406
PubChem CID134902406
Molecular FormulaC16H16KSc
Molecular Weight292.36 g/mol
Exact Mass292.04
IUPAC Name—
SMILESC1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[Sc]
InChIInChI=1S/2C8H8.K.Sc/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?;;
InChIKeyKLXXFVYJCQTQGH-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 ≤ 500292.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134902406?
The IUPAC name of CID 134902406 (CID 134902406) is not available.
What is the SMILES notation for CID 134902406?
The canonical SMILES for CID 134902406 is C1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[Sc].
What is the InChIKey of CID 134902406?
The InChIKey is KLXXFVYJCQTQGH-HSFJRFSNSA-N. The full InChI is InChI=1S/2C8H8.K.Sc/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 134902406?
CID 134902406 has a molecular weight of 292.36 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 134902406 is sourced from PubChem (CID 134902406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).