CID 173159878

C8H5As — CID 173159878

IUPAC—
SMILESC#Cc1ccccc1[As]
InChIInChI=1S/C8H5As/c1-2-7-5-3-4-6-8(7)9/h1,3-6H
InChIKeyHVIWKCKMQHXITN-UHFFFAOYSA-N
MW176.05 g/mol
LogP0.46
Rot. Bonds

About CID 173159878

CID 173159878 (PubChem CID 173159878) has the molecular formula C8H5As and a molecular weight of 176.05 g/mol.

Molecular Properties

Compound NameCID 173159878
PubChem CID173159878
Molecular FormulaC8H5As
Molecular Weight176.05 g/mol
Exact Mass175.96
IUPAC Name—
SMILESC#Cc1ccccc1[As]
InChIInChI=1S/C8H5As/c1-2-7-5-3-4-6-8(7)9/h1,3-6H
InChIKeyHVIWKCKMQHXITN-UHFFFAOYSA-N
XLogP0.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.05
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173159878?
The IUPAC name of CID 173159878 (CID 173159878) is not available.
What is the SMILES notation for CID 173159878?
The canonical SMILES for CID 173159878 is C#Cc1ccccc1[As].
What is the InChIKey of CID 173159878?
The InChIKey is HVIWKCKMQHXITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5As/c1-2-7-5-3-4-6-8(7)9/h1,3-6H.
What are the key properties of CID 173159878?
CID 173159878 has a molecular weight of 176.05 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173159878 is sourced from PubChem (CID 173159878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).