sodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride

C12H13AsN3NaO3 — CID 173022794

IUPACsodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride
SMILESNc1ccc(/N=N/c2ccc([As](=O)(O)O)cc2)cc1.[H-].[Na+]
InChIInChI=1S/C12H12AsN3O3.Na.H/c14-10-3-7-12(8-4-10)16-15-11-5-1-9(2-6-11)13(17,18)19;;/h1-8H,14H2,(H2,17,18,19);;/q;+1;-1/b16-15+;;
InChIKeyVFQAKFAUCSWTQO-VRZXRVJBSA-N
MW345.17 g/mol
LogP-1.64
Rot. Bonds3

About sodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride

sodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride (PubChem CID 173022794) has the molecular formula C12H13AsN3NaO3 and a molecular weight of 345.17 g/mol. Its IUPAC name is sodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride.

Molecular Properties

Compound Namesodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride
PubChem CID173022794
Molecular FormulaC12H13AsN3NaO3
Molecular Weight345.17 g/mol
Exact Mass345.01
IUPAC Namesodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride
SMILESNc1ccc(/N=N/c2ccc([As](=O)(O)O)cc2)cc1.[H-].[Na+]
InChIInChI=1S/C12H12AsN3O3.Na.H/c14-10-3-7-12(8-4-10)16-15-11-5-1-9(2-6-11)13(17,18)19;;/h1-8H,14H2,(H2,17,18,19);;/q;+1;-1/b16-15+;;
InChIKeyVFQAKFAUCSWTQO-VRZXRVJBSA-N
XLogP-1.64
TPSA108.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze sodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride 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-aminophenyl)arsonic acid;4-dichloroarsanylaniline
CID 159267951
arsoric acid;benzene-1,4-diamine
CID 174783871
4-arsonobenzenediazonium bromide
CID 71410005
[4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid
CID 135470148
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
(4-azidophenyl)arsonic acid
CID 3246304
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
[4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid
CID 136714714
4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline
CID 134597339
N-methylmethanamine;4-phenyldiazenylaniline
CID 18792572
[4-[(2-amino-7H-purin-6-yl)sulfanyldiazenyl]phenyl]arsonic acid
CID 3302537
4-[(4-aminophenyl)diazenyl]-2,6-dichlorobenzenesulfonic acid
CID 134929889

Frequently Asked Questions

What is the IUPAC name of sodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride?
The IUPAC name of sodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride (CID 173022794) is sodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride.
What is the SMILES notation for sodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride?
The canonical SMILES for sodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride is Nc1ccc(/N=N/c2ccc([As](=O)(O)O)cc2)cc1.[H-].[Na+].
What is the InChIKey of sodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride?
The InChIKey is VFQAKFAUCSWTQO-VRZXRVJBSA-N. The full InChI is InChI=1S/C12H12AsN3O3.Na.H/c14-10-3-7-12(8-4-10)16-15-11-5-1-9(2-6-11)13(17,18)19;;/h1-8H,14H2,(H2,17,18,19);;/q;+1;-1/b16-15+;;.
What are the key properties of sodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride?
sodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride has a molecular weight of 345.17 g/mol, XLogP of -1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride is sourced from PubChem (CID 173022794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).