(4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid

C16H19AsN4O7 — CID 174647991

IUPAC(4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid
SMILESCC(=O)Nc1ccc([As](=O)(O)OO)cc1.NN/C=N/c1cccc(C(=O)O)c1
InChIInChI=1S/C8H10AsNO5.C8H9N3O2/c1-6(11)10-8-4-2-7(3-5-8)9(12,13)15-14;9-11-5-10-7-3-1-2-6(4-7)8(12)13/h2-5,14H,1H3,(H,10,11)(H,12,13);1-5H,9H2,(H,10,11)(H,12,13)
InChIKeyHYGLWIKCEHDQES-UHFFFAOYSA-N
MW454.27 g/mol
LogP0.21
Rot. Bonds6

About (4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid

(4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid (PubChem CID 174647991) has the molecular formula C16H19AsN4O7 and a molecular weight of 454.27 g/mol. Its IUPAC name is (4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid.

Molecular Properties

Compound Name(4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid
PubChem CID174647991
Molecular FormulaC16H19AsN4O7
Molecular Weight454.27 g/mol
Exact Mass454.05
IUPAC Name(4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid
SMILESCC(=O)Nc1ccc([As](=O)(O)OO)cc1.NN/C=N/c1cccc(C(=O)O)c1
InChIInChI=1S/C8H10AsNO5.C8H9N3O2/c1-6(11)10-8-4-2-7(3-5-8)9(12,13)15-14;9-11-5-10-7-3-1-2-6(4-7)8(12)13/h2-5,14H,1H3,(H,10,11)(H,12,13);1-5H,9H2,(H,10,11)(H,12,13)
InChIKeyHYGLWIKCEHDQES-UHFFFAOYSA-N
XLogP0.21
TPSA183.57 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.27
LogP ≤ 50.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-acetamidophenyl)-hydroperoxyarsinic acid;2-phenylacetic acid
CID 174468016
(4-acetamidophenyl)-hydroperoxyarsinic acid;N-(2-aminophenyl)benzamide
CID 174259115
(4-acetamido-2-hydroxyphenyl)arsonic acid;3-(diaminomethylideneamino)benzoic acid
CID 174647992
(2S)-2-acetamido-3-[4-[[3-(hydrazinylmethylideneamino)benzoyl]amino]phenyl]propanoic acid
CID 70071604
(4-acetamidophenyl)-hydroperoxyarsinic acid;1-nitro-3-phenylbenzene
CID 174301348
(2S)-3-[4-[[3-(hydrazinylmethylideneamino)benzoyl]amino]phenyl]-2-(methoxycarbonylamino)propanoic acid
CID 70071196
(4-acetamidophenyl)-hydroperoxyarsinic acid;1,3-dithiolane 1,1,3,3-tetraoxide
CID 174747737
(3-acetamidophenyl)-hydroperoxyarsinic acid;N-ethylaniline
CID 174596759
2-benzamido-3-[4-[[3-(hydrazinylmethylideneamino)benzoyl]amino]phenyl]propanoic acid
CID 21191418
2-acetamido-3-[4-[[3-(hydrazinylmethylideneamino)phenyl]carbamoylamino]phenyl]propanoic acid
CID 21191442
3-[3-(hydrazinylmethylideneamino)phenyl]-4-oxo-2-phenylhex-2-enoic acid
CID 67617396
(4-acetamidophenyl)-hydroperoxyarsinic acid;N-[2-amino-4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 174495780

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid?
The IUPAC name of (4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid (CID 174647991) is (4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid.
What is the SMILES notation for (4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid?
The canonical SMILES for (4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid is CC(=O)Nc1ccc([As](=O)(O)OO)cc1.NN/C=N/c1cccc(C(=O)O)c1.
What is the InChIKey of (4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid?
The InChIKey is HYGLWIKCEHDQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10AsNO5.C8H9N3O2/c1-6(11)10-8-4-2-7(3-5-8)9(12,13)15-14;9-11-5-10-7-3-1-2-6(4-7)8(12)13/h2-5,14H,1H3,(H,10,11)(H,12,13);1-5H,9H2,(H,10,11)(H,12,13).
What are the key properties of (4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid?
(4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid has a molecular weight of 454.27 g/mol, XLogP of 0.21, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid is sourced from PubChem (CID 174647991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).