CID 173380075

C11H14N4O4Si+ — CID 173380075

IUPAC—
SMILESCC[Si]1C2=[NH+]C3C(=O)N(C)C(=O)N(C3=N2)C1CC(=O)O
InChIInChI=1S/C11H13N4O4Si/c1-3-20-5(4-6(16)17)15-8-7(12-10(20)13-8)9(18)14(2)11(15)19/h5,7H,3-4H2,1-2H3,(H,16,17)/p+1
InChIKeyVDCRBHAVSQUUJE-UHFFFAOYSA-O
MW294.34 g/mol
LogP-2.41
Rot. Bonds3

About CID 173380075

CID 173380075 (PubChem CID 173380075) has the molecular formula C11H14N4O4Si+ and a molecular weight of 294.34 g/mol.

Molecular Properties

Compound NameCID 173380075
PubChem CID173380075
Molecular FormulaC11H14N4O4Si+
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name—
SMILESCC[Si]1C2=[NH+]C3C(=O)N(C)C(=O)N(C3=N2)C1CC(=O)O
InChIInChI=1S/C11H13N4O4Si/c1-3-20-5(4-6(16)17)15-8-7(12-10(20)13-8)9(18)14(2)11(15)19/h5,7H,3-4H2,1-2H3,(H,16,17)/p+1
InChIKeyVDCRBHAVSQUUJE-UHFFFAOYSA-O
XLogP-2.41
TPSA104.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-2.41
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 173380075?
The IUPAC name of CID 173380075 (CID 173380075) is not available.
What is the SMILES notation for CID 173380075?
The canonical SMILES for CID 173380075 is CC[Si]1C2=[NH+]C3C(=O)N(C)C(=O)N(C3=N2)C1CC(=O)O.
What is the InChIKey of CID 173380075?
The InChIKey is VDCRBHAVSQUUJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13N4O4Si/c1-3-20-5(4-6(16)17)15-8-7(12-10(20)13-8)9(18)14(2)11(15)19/h5,7H,3-4H2,1-2H3,(H,16,17)/p+1.
What are the key properties of CID 173380075?
CID 173380075 has a molecular weight of 294.34 g/mol, XLogP of -2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173380075 is sourced from PubChem (CID 173380075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).