CID 68540858

C20H10I2Na2O5 — CID 68540858

IUPAC—
SMILESO=C1OC2(c3ccccc31)c1ccc(O)c(I)c1Oc1c2ccc(O)c1I.[Na].[Na]
InChIInChI=1S/C20H10I2O5.2Na/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20;;/h1-8,23-24H;;
InChIKeyBRILEWYGBKERAJ-UHFFFAOYSA-N
MW630.08 g/mol
LogP4.11
Rot. Bonds

About CID 68540858

CID 68540858 (PubChem CID 68540858) has the molecular formula C20H10I2Na2O5 and a molecular weight of 630.08 g/mol.

Molecular Properties

Compound NameCID 68540858
PubChem CID68540858
Molecular FormulaC20H10I2Na2O5
Molecular Weight630.08 g/mol
Exact Mass629.84
IUPAC Name—
SMILESO=C1OC2(c3ccccc31)c1ccc(O)c(I)c1Oc1c2ccc(O)c1I.[Na].[Na]
InChIInChI=1S/C20H10I2O5.2Na/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20;;/h1-8,23-24H;;
InChIKeyBRILEWYGBKERAJ-UHFFFAOYSA-N
XLogP4.11
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.08
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze CID 68540858 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 68540858?
The IUPAC name of CID 68540858 (CID 68540858) is not available.
What is the SMILES notation for CID 68540858?
The canonical SMILES for CID 68540858 is O=C1OC2(c3ccccc31)c1ccc(O)c(I)c1Oc1c2ccc(O)c1I.[Na].[Na].
What is the InChIKey of CID 68540858?
The InChIKey is BRILEWYGBKERAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10I2O5.2Na/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20;;/h1-8,23-24H;;.
What are the key properties of CID 68540858?
CID 68540858 has a molecular weight of 630.08 g/mol, XLogP of 4.11, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68540858 is sourced from PubChem (CID 68540858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).