Antineoplastic-42494

C10H7As — CID 6327800

IUPAC—
SMILES[As]c1ccc2ccccc2c1
InChIInChI=1S/C10H7As/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyICLDPKWSEOVESG-UHFFFAOYSA-N
MW202.09 g/mol
LogP1.63
Rot. Bonds

About Antineoplastic-42494

Antineoplastic-42494 (PubChem CID 6327800) has the molecular formula C10H7As and a molecular weight of 202.09 g/mol.

Molecular Properties

Compound NameAntineoplastic-42494
PubChem CID6327800
Molecular FormulaC10H7As
Molecular Weight202.09 g/mol
Exact Mass201.98
IUPAC Name—
SMILES[As]c1ccc2ccccc2c1
InChIInChI=1S/C10H7As/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyICLDPKWSEOVESG-UHFFFAOYSA-N
XLogP1.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Antineoplastic-42494?
The IUPAC name of Antineoplastic-42494 (CID 6327800) is not available.
What is the SMILES notation for Antineoplastic-42494?
The canonical SMILES for Antineoplastic-42494 is [As]c1ccc2ccccc2c1.
What is the InChIKey of Antineoplastic-42494?
The InChIKey is ICLDPKWSEOVESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7As/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of Antineoplastic-42494?
Antineoplastic-42494 has a molecular weight of 202.09 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Antineoplastic-42494 is sourced from PubChem (CID 6327800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).