chempirical

Ldn-57444

C17H11Cl3N2O3CAS 668467-91-2397.64 g/mol

Open in Covalent MOL file
OONClNOClCl
AmideAryl halideLactamOxime

Properties

Molecular formula
C17H11Cl3N2O3
Molar mass
397.64 g/mol
Exact mass
395.9835 Da
logP
4.46Crippen estimate
Polar surface area
59.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3
Double bonds
ZE/Z, in SMILES order

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
668467-91-2
SMILES
CC(=O)O/N=C\1/C2=C(C=CC(=C2)Cl)N(C1=O)CC3=C(C=CC(=C3)Cl)Cl
InChIKey
OPQRFPHLZZPCCH-PGMHBOJBSA-N
InChI
InChI=1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3/b21-16-

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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

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

Elsewhere

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