CID 70350897

C12H20NOSi — CID 70350897

IUPAC—
SMILESC[Si](C)OCc1cccnc1C(C)(C)C
InChIInChI=1S/C12H20NOSi/c1-12(2,3)11-10(7-6-8-13-11)9-14-15(4)5/h6-8H,9H2,1-5H3
InChIKeyBBJOUADSAXQXPA-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.15
Rot. Bonds3

About CID 70350897

CID 70350897 (PubChem CID 70350897) has the molecular formula C12H20NOSi and a molecular weight of 222.38 g/mol.

Molecular Properties

Compound NameCID 70350897
PubChem CID70350897
Molecular FormulaC12H20NOSi
Molecular Weight222.38 g/mol
Exact Mass222.13
IUPAC Name—
SMILESC[Si](C)OCc1cccnc1C(C)(C)C
InChIInChI=1S/C12H20NOSi/c1-12(2,3)11-10(7-6-8-13-11)9-14-15(4)5/h6-8H,9H2,1-5H3
InChIKeyBBJOUADSAXQXPA-UHFFFAOYSA-N
XLogP3.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 70350897 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 70350897?
The IUPAC name of CID 70350897 (CID 70350897) is not available.
What is the SMILES notation for CID 70350897?
The canonical SMILES for CID 70350897 is C[Si](C)OCc1cccnc1C(C)(C)C.
What is the InChIKey of CID 70350897?
The InChIKey is BBJOUADSAXQXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NOSi/c1-12(2,3)11-10(7-6-8-13-11)9-14-15(4)5/h6-8H,9H2,1-5H3.
What are the key properties of CID 70350897?
CID 70350897 has a molecular weight of 222.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70350897 is sourced from PubChem (CID 70350897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).