CID 24848861

C6H6CaN6O6 — CID 24848861

IUPAC—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Ca]
InChIInChI=1S/2C3H3N3O3.Ca/c2*7-1-4-2(8)6-3(9)5-1;/h2*(H3,4,5,6,7,8,9);
InChIKeyVMUJEKDONXJDSN-UHFFFAOYSA-N
MW298.23 g/mol
LogP-4.88
Rot. Bonds

About CID 24848861

CID 24848861 (PubChem CID 24848861) has the molecular formula C6H6CaN6O6 and a molecular weight of 298.23 g/mol.

Molecular Properties

Compound NameCID 24848861
PubChem CID24848861
Molecular FormulaC6H6CaN6O6
Molecular Weight298.23 g/mol
Exact Mass298.00
IUPAC Name—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Ca]
InChIInChI=1S/2C3H3N3O3.Ca/c2*7-1-4-2(8)6-3(9)5-1;/h2*(H3,4,5,6,7,8,9);
InChIKeyVMUJEKDONXJDSN-UHFFFAOYSA-N
XLogP-4.88
TPSA197.16 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.23
LogP ≤ 5-4.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze CID 24848861 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 24848861?
The IUPAC name of CID 24848861 (CID 24848861) is not available.
What is the SMILES notation for CID 24848861?
The canonical SMILES for CID 24848861 is O=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Ca].
What is the InChIKey of CID 24848861?
The InChIKey is VMUJEKDONXJDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3N3O3.Ca/c2*7-1-4-2(8)6-3(9)5-1;/h2*(H3,4,5,6,7,8,9);.
What are the key properties of CID 24848861?
CID 24848861 has a molecular weight of 298.23 g/mol, XLogP of -4.88, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24848861 is sourced from PubChem (CID 24848861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).