CID 158916953

HClKO4Ti — CID 158916953

IUPAC—
SMILES[K].[O-][Cl+3]([O-])([O-])O.[Ti]
InChIInChI=1S/ClHO4.K.Ti/c2-1(3,4)5;;/h(H,2,3,4,5);;
InChIKeyJHIOITRHYYKFIA-UHFFFAOYSA-N
MW187.42 g/mol
LogP-4.51
Rot. Bonds

About CID 158916953

CID 158916953 (PubChem CID 158916953) has the molecular formula HClKO4Ti and a molecular weight of 187.42 g/mol.

Molecular Properties

Compound NameCID 158916953
PubChem CID158916953
Molecular FormulaHClKO4Ti
Molecular Weight187.42 g/mol
Exact Mass186.87
IUPAC Name—
SMILES[K].[O-][Cl+3]([O-])([O-])O.[Ti]
InChIInChI=1S/ClHO4.K.Ti/c2-1(3,4)5;;/h(H,2,3,4,5);;
InChIKeyJHIOITRHYYKFIA-UHFFFAOYSA-N
XLogP-4.51
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.42
LogP ≤ 5-4.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 158916953?
The IUPAC name of CID 158916953 (CID 158916953) is not available.
What is the SMILES notation for CID 158916953?
The canonical SMILES for CID 158916953 is [K].[O-][Cl+3]([O-])([O-])O.[Ti].
What is the InChIKey of CID 158916953?
The InChIKey is JHIOITRHYYKFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/ClHO4.K.Ti/c2-1(3,4)5;;/h(H,2,3,4,5);;.
What are the key properties of CID 158916953?
CID 158916953 has a molecular weight of 187.42 g/mol, XLogP of -4.51, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158916953 is sourced from PubChem (CID 158916953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).