(4-aminophenyl)arsonic acid;4-dichloroarsanylaniline

C12H14As2Cl2N2O3 — CID 159267951

IUPAC(4-aminophenyl)arsonic acid;4-dichloroarsanylaniline
SMILESNc1ccc([As](=O)(O)O)cc1.Nc1ccc([As](Cl)Cl)cc1
InChIInChI=1S/C6H6AsCl2N.C6H8AsNO3/c8-7(9)5-1-3-6(10)4-2-5;8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,10H2;1-4H,8H2,(H2,9,10,11)
InChIKeyKXIMZALAHZWHCO-UHFFFAOYSA-N
MW455.01 g/mol
LogP0.27
Rot. Bonds2

About (4-aminophenyl)arsonic acid;4-dichloroarsanylaniline

(4-aminophenyl)arsonic acid;4-dichloroarsanylaniline (PubChem CID 159267951) has the molecular formula C12H14As2Cl2N2O3 and a molecular weight of 455.01 g/mol. Its IUPAC name is (4-aminophenyl)arsonic acid;4-dichloroarsanylaniline.

Molecular Properties

Compound Name(4-aminophenyl)arsonic acid;4-dichloroarsanylaniline
PubChem CID159267951
Molecular FormulaC12H14As2Cl2N2O3
Molecular Weight455.01 g/mol
Exact Mass453.88
IUPAC Name(4-aminophenyl)arsonic acid;4-dichloroarsanylaniline
SMILESNc1ccc([As](=O)(O)O)cc1.Nc1ccc([As](Cl)Cl)cc1
InChIInChI=1S/C6H6AsCl2N.C6H8AsNO3/c8-7(9)5-1-3-6(10)4-2-5;8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,10H2;1-4H,8H2,(H2,9,10,11)
InChIKeyKXIMZALAHZWHCO-UHFFFAOYSA-N
XLogP0.27
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.01
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-aminophenyl)arsonic acid;4-dichloroarsanylaniline 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 (4-aminophenyl)arsonic acid;4-dichloroarsanylaniline?
The IUPAC name of (4-aminophenyl)arsonic acid;4-dichloroarsanylaniline (CID 159267951) is (4-aminophenyl)arsonic acid;4-dichloroarsanylaniline.
What is the SMILES notation for (4-aminophenyl)arsonic acid;4-dichloroarsanylaniline?
The canonical SMILES for (4-aminophenyl)arsonic acid;4-dichloroarsanylaniline is Nc1ccc([As](=O)(O)O)cc1.Nc1ccc([As](Cl)Cl)cc1.
What is the InChIKey of (4-aminophenyl)arsonic acid;4-dichloroarsanylaniline?
The InChIKey is KXIMZALAHZWHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6AsCl2N.C6H8AsNO3/c8-7(9)5-1-3-6(10)4-2-5;8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,10H2;1-4H,8H2,(H2,9,10,11).
What are the key properties of (4-aminophenyl)arsonic acid;4-dichloroarsanylaniline?
(4-aminophenyl)arsonic acid;4-dichloroarsanylaniline has a molecular weight of 455.01 g/mol, XLogP of 0.27, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)arsonic acid;4-dichloroarsanylaniline is sourced from PubChem (CID 159267951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).