CID 140732651

C10H13N2O5Se — CID 140732651

IUPAC—
SMILESCC1(O)[C@@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)nc1[Se]
InChIInChI=1S/C10H13N2O5Se/c1-10(16)7(15)5(4-13)17-8(10)12-3-2-6(14)11-9(12)18/h2-3,5,7-8,13,15-16H,4H2,1H3/t5-,7+,8-,10?/m1/s1
InChIKeyUCGUNSWYRWSMQP-PELMPBBBSA-N
MW320.18 g/mol
LogP-2.96
Rot. Bonds2

About CID 140732651

CID 140732651 (PubChem CID 140732651) has the molecular formula C10H13N2O5Se and a molecular weight of 320.18 g/mol.

Molecular Properties

Compound NameCID 140732651
PubChem CID140732651
Molecular FormulaC10H13N2O5Se
Molecular Weight320.18 g/mol
Exact Mass321.00
IUPAC Name—
SMILESCC1(O)[C@@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)nc1[Se]
InChIInChI=1S/C10H13N2O5Se/c1-10(16)7(15)5(4-13)17-8(10)12-3-2-6(14)11-9(12)18/h2-3,5,7-8,13,15-16H,4H2,1H3/t5-,7+,8-,10?/m1/s1
InChIKeyUCGUNSWYRWSMQP-PELMPBBBSA-N
XLogP-2.96
TPSA104.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 5-2.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 140732651?
The IUPAC name of CID 140732651 (CID 140732651) is not available.
What is the SMILES notation for CID 140732651?
The canonical SMILES for CID 140732651 is CC1(O)[C@@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)nc1[Se].
What is the InChIKey of CID 140732651?
The InChIKey is UCGUNSWYRWSMQP-PELMPBBBSA-N. The full InChI is InChI=1S/C10H13N2O5Se/c1-10(16)7(15)5(4-13)17-8(10)12-3-2-6(14)11-9(12)18/h2-3,5,7-8,13,15-16H,4H2,1H3/t5-,7+,8-,10?/m1/s1.
What are the key properties of CID 140732651?
CID 140732651 has a molecular weight of 320.18 g/mol, XLogP of -2.96, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140732651 is sourced from PubChem (CID 140732651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).