chempirical

Meisoindigo

C17H12N2O2CAS 97207-47-1276.30 g/mol

Open in Covalent MOL file
NHONO
Phenol

Properties

Molecular formula
C17H12N2O2
Molar mass
276.30 g/mol
Exact mass
276.0899 Da
logP
1.24Crippen estimate
Polar surface area
54.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
97207-47-1
SMILES
CN1C2=CC=CC=C2C(=C1O)C3=C4C=CC=CC4=NC3=O
InChIKey
XZYXCQXTKOYHGK-UHFFFAOYSA-N
InChI
InChI=1S/C17H12N2O2/c1-19-13-9-5-3-7-11(13)15(17(19)21)14-10-6-2-4-8-12(10)18-16(14)20/h2-9,21H,1H3

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Work with Meisoindigo

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

1,2-Dimethyl-1H-indole-3-carboxylic acid20357-15-739 % similar 2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one122852-75-939 % similar 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one27387-31-138 % similar N-Methylcarbazole1484-12-436 % similar 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-935 % similar N-Methylacridone719-54-035 % similar 1-Methyl-1H-indole-3-carboxylic acid32387-21-632 % similar 1-Methylindazole-3-carboxylic acid50890-83-032 % similar

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

Same formula

2-[(Methoxy)(4-phenoxyphenyl)methylene]malononitrile330792-69-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook