CID 10696444

C21H28NOSSi — CID 10696444

IUPAC—
SMILESCC(C)(C)[C@H]1COC([C]2[C](Sc3ccccc3)[CH][CH][C]2[Si](C)(C)C)=N1
InChIInChI=1S/C21H28NOSSi/c1-21(2,3)18-14-23-20(22-18)19-16(12-13-17(19)25(4,5)6)24-15-10-8-7-9-11-15/h7-13,18H,14H2,1-6H3/t18-/m1/s1
InChIKeyNEBNTFLEIVJIQF-GOSISDBHSA-N
MW370.61 g/mol
LogP5.60
Rot. Bonds4

About CID 10696444

CID 10696444 (PubChem CID 10696444) has the molecular formula C21H28NOSSi and a molecular weight of 370.61 g/mol.

Molecular Properties

Compound NameCID 10696444
PubChem CID10696444
Molecular FormulaC21H28NOSSi
Molecular Weight370.61 g/mol
Exact Mass370.17
IUPAC Name—
SMILESCC(C)(C)[C@H]1COC([C]2[C](Sc3ccccc3)[CH][CH][C]2[Si](C)(C)C)=N1
InChIInChI=1S/C21H28NOSSi/c1-21(2,3)18-14-23-20(22-18)19-16(12-13-17(19)25(4,5)6)24-15-10-8-7-9-11-15/h7-13,18H,14H2,1-6H3/t18-/m1/s1
InChIKeyNEBNTFLEIVJIQF-GOSISDBHSA-N
XLogP5.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.61
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 10696444 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 10696444?
The IUPAC name of CID 10696444 (CID 10696444) is not available.
What is the SMILES notation for CID 10696444?
The canonical SMILES for CID 10696444 is CC(C)(C)[C@H]1COC([C]2[C](Sc3ccccc3)[CH][CH][C]2[Si](C)(C)C)=N1.
What is the InChIKey of CID 10696444?
The InChIKey is NEBNTFLEIVJIQF-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28NOSSi/c1-21(2,3)18-14-23-20(22-18)19-16(12-13-17(19)25(4,5)6)24-15-10-8-7-9-11-15/h7-13,18H,14H2,1-6H3/t18-/m1/s1.
What are the key properties of CID 10696444?
CID 10696444 has a molecular weight of 370.61 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10696444 is sourced from PubChem (CID 10696444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).