CID 164936141

C7H20N2O3Sb — CID 164936141

IUPAC—
SMILESCOCCN[Sb]N1CCCC1.O.O
InChIInChI=1S/C4H8N.C3H8NO.2H2O.Sb/c1-2-4-5-3-1;1-5-3-2-4;;;/h1-4H2;4H,2-3H2,1H3;2*1H2;/q2*-1;;;+2
InChIKeyOOKDNMQDWRHJPB-UHFFFAOYSA-N
MW302.01 g/mol
LogP-1.80
Rot. Bonds5

About CID 164936141

CID 164936141 (PubChem CID 164936141) has the molecular formula C7H20N2O3Sb and a molecular weight of 302.01 g/mol.

Molecular Properties

Compound NameCID 164936141
PubChem CID164936141
Molecular FormulaC7H20N2O3Sb
Molecular Weight302.01 g/mol
Exact Mass301.05
IUPAC Name—
SMILESCOCCN[Sb]N1CCCC1.O.O
InChIInChI=1S/C4H8N.C3H8NO.2H2O.Sb/c1-2-4-5-3-1;1-5-3-2-4;;;/h1-4H2;4H,2-3H2,1H3;2*1H2;/q2*-1;;;+2
InChIKeyOOKDNMQDWRHJPB-UHFFFAOYSA-N
XLogP-1.80
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.01
LogP ≤ 5-1.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 164936141?
The IUPAC name of CID 164936141 (CID 164936141) is not available.
What is the SMILES notation for CID 164936141?
The canonical SMILES for CID 164936141 is COCCN[Sb]N1CCCC1.O.O.
What is the InChIKey of CID 164936141?
The InChIKey is OOKDNMQDWRHJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N.C3H8NO.2H2O.Sb/c1-2-4-5-3-1;1-5-3-2-4;;;/h1-4H2;4H,2-3H2,1H3;2*1H2;/q2*-1;;;+2.
What are the key properties of CID 164936141?
CID 164936141 has a molecular weight of 302.01 g/mol, XLogP of -1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164936141 is sourced from PubChem (CID 164936141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).