chempirical

Tyrphostin A46

C10H8N2O3CAS 122520-85-8204.18 g/mol

Open in Covalent MOL file
NONH2OHOH
AlkeneAmideNitrilePhenol

Properties

Molecular formula
C10H8N2O3
Molar mass
204.18 g/mol
Exact mass
204.0535 Da
logP
0.49Crippen estimate
Polar surface area
107.3 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
122520-85-8
SMILES
C1=CC(=C(C=C1/C=C(\C#N)/C(=O)N)O)O
InChIKey
USOXQZNJFMKTKJ-XVNBXDOJSA-N
InChI
InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+

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Names and synonyms

1 names
  • Ag 99

Work with Tyrphostin A46

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

Tyrphostin 23118409-57-759 % similar (2E)-2-Cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-2-propenamide133550-30-851 % similar α-Cyano-4-hydroxycinnamic acid28166-41-843 % similar 2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid54673-07-343 % similar Tyrphostin ag 126118409-62-442 % similar α-Cyanocinnamic acid1011-92-340 % similar Protocatechuic aldehyde139-85-540 % similar Caffeic acid331-39-540 % similar

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

Same formula

1-Phenyl-3-carboxy-5-pyrazolone119-18-6 6-Methoxy-8-nitroquinoline85-81-4

Elsewhere

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