CID 170598433

C13H22NO3Pb — CID 170598433

IUPAC—
SMILESCC(C)(CC(=O)OC(C)(C)C)CC1=NC([Pb])CO1
InChIInChI=1S/C13H22NO3.Pb/c1-12(2,3)17-11(15)9-13(4,5)8-10-14-6-7-16-10;/h6H,7-9H2,1-5H3;
InChIKeyLOYWGWIRVRNTPI-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.06
Rot. Bonds4

About CID 170598433

CID 170598433 (PubChem CID 170598433) has the molecular formula C13H22NO3Pb and a molecular weight of 447.52 g/mol.

Molecular Properties

Compound NameCID 170598433
PubChem CID170598433
Molecular FormulaC13H22NO3Pb
Molecular Weight447.52 g/mol
Exact Mass448.14
IUPAC Name—
SMILESCC(C)(CC(=O)OC(C)(C)C)CC1=NC([Pb])CO1
InChIInChI=1S/C13H22NO3.Pb/c1-12(2,3)17-11(15)9-13(4,5)8-10-14-6-7-16-10;/h6H,7-9H2,1-5H3;
InChIKeyLOYWGWIRVRNTPI-UHFFFAOYSA-N
XLogP2.06
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 170598433 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 170598433?
The IUPAC name of CID 170598433 (CID 170598433) is not available.
What is the SMILES notation for CID 170598433?
The canonical SMILES for CID 170598433 is CC(C)(CC(=O)OC(C)(C)C)CC1=NC([Pb])CO1.
What is the InChIKey of CID 170598433?
The InChIKey is LOYWGWIRVRNTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NO3.Pb/c1-12(2,3)17-11(15)9-13(4,5)8-10-14-6-7-16-10;/h6H,7-9H2,1-5H3;.
What are the key properties of CID 170598433?
CID 170598433 has a molecular weight of 447.52 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170598433 is sourced from PubChem (CID 170598433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).