CID 165399540

C7H9AsN2 — CID 165399540

IUPAC—
SMILESCc1nnc(C)c([As])c1C
InChIInChI=1S/C7H9AsN2/c1-4-5(2)9-10-6(3)7(4)8/h1-3H3
InChIKeyOMWAWXCKEKPRDV-UHFFFAOYSA-N
MW196.08 g/mol
LogP0.20
Rot. Bonds

About CID 165399540

CID 165399540 (PubChem CID 165399540) has the molecular formula C7H9AsN2 and a molecular weight of 196.08 g/mol.

Molecular Properties

Compound NameCID 165399540
PubChem CID165399540
Molecular FormulaC7H9AsN2
Molecular Weight196.08 g/mol
Exact Mass196.00
IUPAC Name—
SMILESCc1nnc(C)c([As])c1C
InChIInChI=1S/C7H9AsN2/c1-4-5(2)9-10-6(3)7(4)8/h1-3H3
InChIKeyOMWAWXCKEKPRDV-UHFFFAOYSA-N
XLogP0.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 CID 165399540?
The IUPAC name of CID 165399540 (CID 165399540) is not available.
What is the SMILES notation for CID 165399540?
The canonical SMILES for CID 165399540 is Cc1nnc(C)c([As])c1C.
What is the InChIKey of CID 165399540?
The InChIKey is OMWAWXCKEKPRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9AsN2/c1-4-5(2)9-10-6(3)7(4)8/h1-3H3.
What are the key properties of CID 165399540?
CID 165399540 has a molecular weight of 196.08 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165399540 is sourced from PubChem (CID 165399540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).