CID 164936155

C7H22N2O3Sb — CID 164936155

IUPAC—
SMILESCCN(CC)[Sb]NCCOC.O.O
InChIInChI=1S/C4H10N.C3H8NO.2H2O.Sb/c1-3-5-4-2;1-5-3-2-4;;;/h3-4H2,1-2H3;4H,2-3H2,1H3;2*1H2;/q2*-1;;;+2
InChIKeyMYPPSSNFKCRHEL-UHFFFAOYSA-N
MW304.02 g/mol
LogP-1.55
Rot. Bonds7

About CID 164936155

CID 164936155 (PubChem CID 164936155) has the molecular formula C7H22N2O3Sb and a molecular weight of 304.02 g/mol.

Molecular Properties

Compound NameCID 164936155
PubChem CID164936155
Molecular FormulaC7H22N2O3Sb
Molecular Weight304.02 g/mol
Exact Mass303.07
IUPAC Name—
SMILESCCN(CC)[Sb]NCCOC.O.O
InChIInChI=1S/C4H10N.C3H8NO.2H2O.Sb/c1-3-5-4-2;1-5-3-2-4;;;/h3-4H2,1-2H3;4H,2-3H2,1H3;2*1H2;/q2*-1;;;+2
InChIKeyMYPPSSNFKCRHEL-UHFFFAOYSA-N
XLogP-1.55
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.02
LogP ≤ 5-1.55
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 164936155?
The IUPAC name of CID 164936155 (CID 164936155) is not available.
What is the SMILES notation for CID 164936155?
The canonical SMILES for CID 164936155 is CCN(CC)[Sb]NCCOC.O.O.
What is the InChIKey of CID 164936155?
The InChIKey is MYPPSSNFKCRHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N.C3H8NO.2H2O.Sb/c1-3-5-4-2;1-5-3-2-4;;;/h3-4H2,1-2H3;4H,2-3H2,1H3;2*1H2;/q2*-1;;;+2.
What are the key properties of CID 164936155?
CID 164936155 has a molecular weight of 304.02 g/mol, XLogP of -1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164936155 is sourced from PubChem (CID 164936155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).