CID 158474185

C14H10As — CID 158474185

IUPAC—
SMILES[As].c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.As/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;/h1-10H;
InChIKeyHGSPIYDJSMOUOJ-UHFFFAOYSA-N
MW253.16 g/mol
LogP3.61
Rot. Bonds

About CID 158474185

CID 158474185 (PubChem CID 158474185) has the molecular formula C14H10As and a molecular weight of 253.16 g/mol.

Molecular Properties

Compound NameCID 158474185
PubChem CID158474185
Molecular FormulaC14H10As
Molecular Weight253.16 g/mol
Exact Mass253.00
IUPAC Name—
SMILES[As].c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.As/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;/h1-10H;
InChIKeyHGSPIYDJSMOUOJ-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 158474185?
The IUPAC name of CID 158474185 (CID 158474185) is not available.
What is the SMILES notation for CID 158474185?
The canonical SMILES for CID 158474185 is [As].c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of CID 158474185?
The InChIKey is HGSPIYDJSMOUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.As/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;/h1-10H;.
What are the key properties of CID 158474185?
CID 158474185 has a molecular weight of 253.16 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158474185 is sourced from PubChem (CID 158474185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).