carboxy-(4-phenyldiazenylphenyl)carbamic acid

C14H11N3O4 — CID 175154168

IUPACcarboxy-(4-phenyldiazenylphenyl)carbamic acid
SMILESO=C(O)N(C(=O)O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H11N3O4/c18-13(19)17(14(20)21)12-8-6-11(7-9-12)16-15-10-4-2-1-3-5-10/h1-9H,(H,18,19)(H,20,21)/b16-15+
InChIKeyORPGLOCTCYKHDL-FOCLMDBBSA-N
MW285.26 g/mol
LogP4.26
Rot. Bonds3

About carboxy-(4-phenyldiazenylphenyl)carbamic acid

carboxy-(4-phenyldiazenylphenyl)carbamic acid (PubChem CID 175154168) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is carboxy-(4-phenyldiazenylphenyl)carbamic acid.

Molecular Properties

Compound Namecarboxy-(4-phenyldiazenylphenyl)carbamic acid
PubChem CID175154168
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Namecarboxy-(4-phenyldiazenylphenyl)carbamic acid
SMILESO=C(O)N(C(=O)O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H11N3O4/c18-13(19)17(14(20)21)12-8-6-11(7-9-12)16-15-10-4-2-1-3-5-10/h1-9H,(H,18,19)(H,20,21)/b16-15+
InChIKeyORPGLOCTCYKHDL-FOCLMDBBSA-N
XLogP4.26
TPSA102.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carboxy-(4-phenyldiazenylphenyl)carbamic acid?
The IUPAC name of carboxy-(4-phenyldiazenylphenyl)carbamic acid (CID 175154168) is carboxy-(4-phenyldiazenylphenyl)carbamic acid.
What is the SMILES notation for carboxy-(4-phenyldiazenylphenyl)carbamic acid?
The canonical SMILES for carboxy-(4-phenyldiazenylphenyl)carbamic acid is O=C(O)N(C(=O)O)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of carboxy-(4-phenyldiazenylphenyl)carbamic acid?
The InChIKey is ORPGLOCTCYKHDL-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-13(19)17(14(20)21)12-8-6-11(7-9-12)16-15-10-4-2-1-3-5-10/h1-9H,(H,18,19)(H,20,21)/b16-15+.
What are the key properties of carboxy-(4-phenyldiazenylphenyl)carbamic acid?
carboxy-(4-phenyldiazenylphenyl)carbamic acid has a molecular weight of 285.26 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy-(4-phenyldiazenylphenyl)carbamic acid is sourced from PubChem (CID 175154168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).