trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium

C7H7NO7P+ — CID 57316858

IUPACtrihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium
SMILESO=C(c1ccc(O)c([N+](=O)[O-])c1)[P+](O)(O)O
InChIInChI=1S/C7H6NO7P/c9-6-2-1-4(3-5(6)8(11)12)7(10)16(13,14)15/h1-3,13-15H/p+1
InChIKeyJHJAAZUCPNJWIO-UHFFFAOYSA-O
MW248.11 g/mol
LogP0.18
Rot. Bonds3

About trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium

trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium (PubChem CID 57316858) has the molecular formula C7H7NO7P+ and a molecular weight of 248.11 g/mol. Its IUPAC name is trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium.

Molecular Properties

Compound Nametrihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium
PubChem CID57316858
Molecular FormulaC7H7NO7P+
Molecular Weight248.11 g/mol
Exact Mass248.00
IUPAC Nametrihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium
SMILESO=C(c1ccc(O)c([N+](=O)[O-])c1)[P+](O)(O)O
InChIInChI=1S/C7H6NO7P/c9-6-2-1-4(3-5(6)8(11)12)7(10)16(13,14)15/h1-3,13-15H/p+1
InChIKeyJHJAAZUCPNJWIO-UHFFFAOYSA-O
XLogP0.18
TPSA141.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium 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-hydroxy-N,N-dimethyl-3-nitrobenzamide
CID 82993461
(4-hydroxy-3-nitrophenyl)-piperidin-4-ylmethanone
CID 96827821
arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone
CID 160665617
azane;2,4-dinitrophenol;hydrate
CID 174664401
3-(4-hydroxy-3-nitrophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 78574200
2-nitro-4-propan-2-yloxyphenol
CID 11820026
N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride
CID 175272274
N-(2,2-dimethylpropyl)-4-hydroxy-N-methyl-3-nitrobenzamide
CID 75504895
4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 91647846
2-nitrobenzene-1,3-diol;2-nitrobenzene-1,4-diol
CID 162059656
acetic acid;bis(2,4-dinitrophenol)
CID 88801874
4-methyl-2-nitrophenol;4-methylphenol
CID 21439085

Frequently Asked Questions

What is the IUPAC name of trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium?
The IUPAC name of trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium (CID 57316858) is trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium.
What is the SMILES notation for trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium?
The canonical SMILES for trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium is O=C(c1ccc(O)c([N+](=O)[O-])c1)[P+](O)(O)O.
What is the InChIKey of trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium?
The InChIKey is JHJAAZUCPNJWIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6NO7P/c9-6-2-1-4(3-5(6)8(11)12)7(10)16(13,14)15/h1-3,13-15H/p+1.
What are the key properties of trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium?
trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium has a molecular weight of 248.11 g/mol, XLogP of 0.18, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium is sourced from PubChem (CID 57316858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).