CID 163865661

C15H10IO5- — CID 163865661

IUPAC—
SMILESOc1ccc2c(c1)OCC1c3cc4c(cc3OC21)O[I-]O4
InChIInChI=1S/C15H10IO5/c17-7-1-2-8-11(3-7)18-6-10-9-4-13-14(21-16-20-13)5-12(9)19-15(8)10/h1-5,10,15,17H,6H2/q-1
InChIKeyLMUORWMQJSQKNG-UHFFFAOYSA-N
MW397.14 g/mol
LogP-0.31
Rot. Bonds

About CID 163865661

CID 163865661 (PubChem CID 163865661) has the molecular formula C15H10IO5- and a molecular weight of 397.14 g/mol.

Molecular Properties

Compound NameCID 163865661
PubChem CID163865661
Molecular FormulaC15H10IO5-
Molecular Weight397.14 g/mol
Exact Mass396.96
IUPAC Name—
SMILESOc1ccc2c(c1)OCC1c3cc4c(cc3OC21)O[I-]O4
InChIInChI=1S/C15H10IO5/c17-7-1-2-8-11(3-7)18-6-10-9-4-13-14(21-16-20-13)5-12(9)19-15(8)10/h1-5,10,15,17H,6H2/q-1
InChIKeyLMUORWMQJSQKNG-UHFFFAOYSA-N
XLogP-0.31
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 163865661 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 163865661?
The IUPAC name of CID 163865661 (CID 163865661) is not available.
What is the SMILES notation for CID 163865661?
The canonical SMILES for CID 163865661 is Oc1ccc2c(c1)OCC1c3cc4c(cc3OC21)O[I-]O4.
What is the InChIKey of CID 163865661?
The InChIKey is LMUORWMQJSQKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10IO5/c17-7-1-2-8-11(3-7)18-6-10-9-4-13-14(21-16-20-13)5-12(9)19-15(8)10/h1-5,10,15,17H,6H2/q-1.
What are the key properties of CID 163865661?
CID 163865661 has a molecular weight of 397.14 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163865661 is sourced from PubChem (CID 163865661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).