CID 151683093

C13H7AsClF3NO5 — CID 151683093

IUPAC—
SMILESO=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1[As](=O)O
InChIInChI=1S/C13H7AsClF3NO5/c15-10-5-7(13(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)14(20)21/h1-6H,(H,20,21)
InChIKeyGBSXUAWLKCBCME-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.18
Rot. Bonds4

About CID 151683093

CID 151683093 (PubChem CID 151683093) has the molecular formula C13H7AsClF3NO5 and a molecular weight of 424.57 g/mol.

Molecular Properties

Compound NameCID 151683093
PubChem CID151683093
Molecular FormulaC13H7AsClF3NO5
Molecular Weight424.57 g/mol
Exact Mass423.92
IUPAC Name—
SMILESO=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1[As](=O)O
InChIInChI=1S/C13H7AsClF3NO5/c15-10-5-7(13(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)14(20)21/h1-6H,(H,20,21)
InChIKeyGBSXUAWLKCBCME-UHFFFAOYSA-N
XLogP3.18
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 151683093 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

2-chloro-1-[3-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]disulfanyl]-4-nitrophenoxy]-4-(trifluoromethyl)benzene
CID 13246607
[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]methanethiol
CID 88740449
2-chloro-1-(4-nitro-3-prop-1-en-2-ylphenoxy)-4-(trifluoromethyl)benzene
CID 14255807
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl chloride
CID 19828951
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzenecarbothioamide;hydrochloride
CID 134122420
CID 88688505
CID 88688505
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid;N-methylmethanamine
CID 12960256
N-tert-butyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroaniline
CID 70464956
methyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-oxoacetate
CID 13320757
S-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl] 2-hydroxyethanethioate
CID 88743567
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-sulfonylbenzamide;methane
CID 87670678
sodium 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]oxyacetate
CID 70597280

Frequently Asked Questions

What is the IUPAC name of CID 151683093?
The IUPAC name of CID 151683093 (CID 151683093) is not available.
What is the SMILES notation for CID 151683093?
The canonical SMILES for CID 151683093 is O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1[As](=O)O.
What is the InChIKey of CID 151683093?
The InChIKey is GBSXUAWLKCBCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7AsClF3NO5/c15-10-5-7(13(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)14(20)21/h1-6H,(H,20,21).
What are the key properties of CID 151683093?
CID 151683093 has a molecular weight of 424.57 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151683093 is sourced from PubChem (CID 151683093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).