chempirical

Tyrphostin ag 126

C10H5N3O3CAS 118409-62-4215.17 g/mol

Open in Covalent MOL file
NNOHN+OO−
AlkeneNitrileNitroPhenol

Properties

Molecular formula
C10H5N3O3
Molar mass
215.17 g/mol
Exact mass
215.0331 Da
logP
1.73Crippen estimate
Polar surface area
111.0 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
118409-62-4
SMILES
C1=CC(=C(C=C1C=C(C#N)C#N)O)[N+](=O)[O-]
InChIKey
DUQADSPERJRQBW-UHFFFAOYSA-N
InChI
InChI=1S/C10H5N3O3/c11-5-8(6-12)3-7-1-2-9(13(15)16)10(14)4-7/h1-4,14H

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Work with Tyrphostin ag 126

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Hydroxy-4-nitrobenzaldehyde704-13-263 % similar Tyrphostin 23118409-57-762 % similar 2,5-Dinitrophenol329-71-551 % similar 4-Hydroxy-3-nitrobenzaldehyde3011-34-550 % similar 4-Cyano-2-nitrophenol3272-08-049 % similar 5-Fluoro-2-nitrophenol446-36-649 % similar 5-Methyl-2-nitrophenol700-38-949 % similar 3-Hydroxy-4-nitrobenzoic acid619-14-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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