CID 67216418

C9H9N9NaO9 — CID 67216418

IUPAC—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na]
InChIInChI=1S/3C3H3N3O3.Na/c3*7-1-4-2(8)6-3(9)5-1;/h3*(H3,4,5,6,7,8,9);
InChIKeyWXNHJQTXQODYHS-UHFFFAOYSA-N
MW410.22 g/mol
LogP-7.13
Rot. Bonds

About CID 67216418

CID 67216418 (PubChem CID 67216418) has the molecular formula C9H9N9NaO9 and a molecular weight of 410.22 g/mol.

Molecular Properties

Compound NameCID 67216418
PubChem CID67216418
Molecular FormulaC9H9N9NaO9
Molecular Weight410.22 g/mol
Exact Mass410.04
IUPAC Name—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na]
InChIInChI=1S/3C3H3N3O3.Na/c3*7-1-4-2(8)6-3(9)5-1;/h3*(H3,4,5,6,7,8,9);
InChIKeyWXNHJQTXQODYHS-UHFFFAOYSA-N
XLogP-7.13
TPSA295.74 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.22
LogP ≤ 5-7.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of CID 67216418?
The IUPAC name of CID 67216418 (CID 67216418) is not available.
What is the SMILES notation for CID 67216418?
The canonical SMILES for CID 67216418 is O=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na].
What is the InChIKey of CID 67216418?
The InChIKey is WXNHJQTXQODYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H3N3O3.Na/c3*7-1-4-2(8)6-3(9)5-1;/h3*(H3,4,5,6,7,8,9);.
What are the key properties of CID 67216418?
CID 67216418 has a molecular weight of 410.22 g/mol, XLogP of -7.13, 0 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67216418 is sourced from PubChem (CID 67216418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).