CID 159039916

C5H6N2Na2O3 — CID 159039916

IUPAC—
SMILESCOc1c(O)nc[nH]c1=O.[Na].[Na]
InChIInChI=1S/C5H6N2O3.2Na/c1-10-3-4(8)6-2-7-5(3)9;;/h2H,1H3,(H2,6,7,8,9);;
InChIKeyJVXRCPLFBHIDMU-UHFFFAOYSA-N
MW188.09 g/mol
LogP-1.28
Rot. Bonds1

About CID 159039916

CID 159039916 (PubChem CID 159039916) has the molecular formula C5H6N2Na2O3 and a molecular weight of 188.09 g/mol.

Molecular Properties

Compound NameCID 159039916
PubChem CID159039916
Molecular FormulaC5H6N2Na2O3
Molecular Weight188.09 g/mol
Exact Mass188.02
IUPAC Name—
SMILESCOc1c(O)nc[nH]c1=O.[Na].[Na]
InChIInChI=1S/C5H6N2O3.2Na/c1-10-3-4(8)6-2-7-5(3)9;;/h2H,1H3,(H2,6,7,8,9);;
InChIKeyJVXRCPLFBHIDMU-UHFFFAOYSA-N
XLogP-1.28
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.09
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 159039916?
The IUPAC name of CID 159039916 (CID 159039916) is not available.
What is the SMILES notation for CID 159039916?
The canonical SMILES for CID 159039916 is COc1c(O)nc[nH]c1=O.[Na].[Na].
What is the InChIKey of CID 159039916?
The InChIKey is JVXRCPLFBHIDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3.2Na/c1-10-3-4(8)6-2-7-5(3)9;;/h2H,1H3,(H2,6,7,8,9);;.
What are the key properties of CID 159039916?
CID 159039916 has a molecular weight of 188.09 g/mol, XLogP of -1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159039916 is sourced from PubChem (CID 159039916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).