Zm 306416

C16H13ClFN3O2CAS 690206-97-4333.75 g/mol

Open in Covalent MOL file
ONNHNClFO
Aryl halideEtherSecondary amine

Properties

Molecular formula
C16H13ClFN3O2
Molar mass
333.75 g/mol
Exact mass
333.0680 Da
logP
4.18Crippen estimate
Polar surface area
56.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Hazards

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

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Identifiers

CAS number
690206-97-4
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OC
InChIKey
YHUIUSRCUKUUQA-UHFFFAOYSA-N
InChI
InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3,(H,19,20,21)

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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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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