2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol

C12H12As2N2O2 — CID 8775

IUPAC2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol
SMILESNc1cc(/[As]=[As]/c2ccc(O)c(N)c2)ccc1O
InChIInChI=1S/C12H12As2N2O2/c15-9-5-7(1-3-11(9)17)13-14-8-2-4-12(18)10(16)6-8/h1-6,17-18H,15-16H2
InChIKeyZCZNGRXPMRPERV-UHFFFAOYSA-N
MW366.08 g/mol
LogP-0.46
Rot. Bonds2

About 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol

2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol (PubChem CID 8775) has the molecular formula C12H12As2N2O2 and a molecular weight of 366.08 g/mol. Its IUPAC name is 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol.

Molecular Properties

Compound Name2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol
PubChem CID8775
Molecular FormulaC12H12As2N2O2
Molecular Weight366.08 g/mol
Exact Mass365.93
IUPAC Name2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol
SMILESNc1cc(/[As]=[As]/c2ccc(O)c(N)c2)ccc1O
InChIInChI=1S/C12H12As2N2O2/c15-9-5-7(1-3-11(9)17)13-14-8-2-4-12(18)10(16)6-8/h1-6,17-18H,15-16H2
InChIKeyZCZNGRXPMRPERV-UHFFFAOYSA-N
XLogP-0.46
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.08
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol?
The IUPAC name of 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol (CID 8775) is 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol.
What is the SMILES notation for 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol?
The canonical SMILES for 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol is Nc1cc(/[As]=[As]/c2ccc(O)c(N)c2)ccc1O.
What is the InChIKey of 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol?
The InChIKey is ZCZNGRXPMRPERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12As2N2O2/c15-9-5-7(1-3-11(9)17)13-14-8-2-4-12(18)10(16)6-8/h1-6,17-18H,15-16H2.
What are the key properties of 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol?
2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol has a molecular weight of 366.08 g/mol, XLogP of -0.46, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol is sourced from PubChem (CID 8775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).