CID 87527361

C17H28AsN3O3Si — CID 87527361

IUPAC—
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccncc2[As])C[C@H]1NC(=O)O
InChIInChI=1S/C17H28AsN3O3Si/c1-17(2,3)25(4,5)24-15-7-9-21(11-13(15)20-16(22)23)14-6-8-19-10-12(14)18/h6,8,10,13,15,20H,7,9,11H2,1-5H3,(H,22,23)/t13-,15-/m1/s1
InChIKeyQLXNOZUWGAWPIY-UKRRQHHQSA-N
MW425.44 g/mol
LogP2.11
Rot. Bonds4

About CID 87527361

CID 87527361 (PubChem CID 87527361) has the molecular formula C17H28AsN3O3Si and a molecular weight of 425.44 g/mol.

Molecular Properties

Compound NameCID 87527361
PubChem CID87527361
Molecular FormulaC17H28AsN3O3Si
Molecular Weight425.44 g/mol
Exact Mass425.11
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccncc2[As])C[C@H]1NC(=O)O
InChIInChI=1S/C17H28AsN3O3Si/c1-17(2,3)25(4,5)24-15-7-9-21(11-13(15)20-16(22)23)14-6-8-19-10-12(14)18/h6,8,10,13,15,20H,7,9,11H2,1-5H3,(H,22,23)/t13-,15-/m1/s1
InChIKeyQLXNOZUWGAWPIY-UKRRQHHQSA-N
XLogP2.11
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87527361?
The IUPAC name of CID 87527361 (CID 87527361) is not available.
What is the SMILES notation for CID 87527361?
The canonical SMILES for CID 87527361 is CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccncc2[As])C[C@H]1NC(=O)O.
What is the InChIKey of CID 87527361?
The InChIKey is QLXNOZUWGAWPIY-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H28AsN3O3Si/c1-17(2,3)25(4,5)24-15-7-9-21(11-13(15)20-16(22)23)14-6-8-19-10-12(14)18/h6,8,10,13,15,20H,7,9,11H2,1-5H3,(H,22,23)/t13-,15-/m1/s1.
What are the key properties of CID 87527361?
CID 87527361 has a molecular weight of 425.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87527361 is sourced from PubChem (CID 87527361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).