Aristolochic acid C

C₁₆H₉NO₇CAS 4849-90-5327.25 g/mol

Open in Covalent MOL file

Acetal Carboxylic acid Ether Nitro Phenol

Properties

Molecular formula: C₁₆H₉NO₇
Molar mass: 327.25 g/mol
Exact mass: 327.0379 Da
logP: 3.03Crippen estimate
Polar surface area: 119.1 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 2

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

4849-90-5

SMILES

C1OC2=C(O1)C3=C4C=C(C=CC4=CC(=C3C(=C2)C(=O)O)[N+](=O)[O-])O

InChIKey

NBFGYDJKTHENDP-UHFFFAOYSA-N

InChI

InChI=1S/C16H9NO7/c18-8-2-1-7-3-11(17(21)22)13-10(16(19)20)5-12-15(24-6-23-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,19,20)

Weigh it out

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Work with Aristolochic acid C

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

Aristolochic acid II475-80-977 % similar Aristolochic acid313-67-763 % similar 5-Hydroxy-2-nitrobenzoic acid610-37-750 % similar 4,5-Dimethoxy-2-nitrobenzoic acid4998-07-641 % similar 4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid60547-92-439 % similar 5-Bromo-2-nitro-benzoic acid6950-43-239 % similar 4-Bromo-2-nitrobenzoic acid99277-71-139 % similar 2,5-Dinitrobenzoic acid610-28-638 % similar

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

Elsewhere

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