Gnf-2

C18H13F3N4O2CAS 778270-11-4374.32 g/mol

Open in Covalent MOL file
ONH2NNNHOFFF
Alkyl halideAmideEtherSecondary amine

Properties

Molecular formula
C18H13F3N4O2
Molar mass
374.32 g/mol
Exact mass
374.0991 Da
logP
3.88Crippen estimate
Polar surface area
90.1 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
778270-11-4
SMILES
C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F
InChIKey
WEVYNIUIFUYDGI-UHFFFAOYSA-N
InChI
InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)

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Work with Gnf-2

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.

All similar compounds

Elsewhere

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