3-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine

Formula:C9H8N5OF Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine is a drug-like molecule.

MolName3-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine
MolecularFormulaC9H8N5OF
SmilesNc1nonc1N/N=C\c(cccc1)c1F
InChIInChI=1S/C9H8FN5O/c10-7-4-2-1-3-6(7)5-12-13-9-8(11)14-16-15-9/h1-5H,(H2,11,14)(H,13,15)
InChIKGSVHCCULAOCJTQ-UHFFFAOYSA-N
TotalMolweight221.195
Molweight221.195
MonoisotopicMass221.071288
CLogP3.4785
CLogS-2.832
H Acceptors6
H Donors2
TotalSurfaceArea171.32
Relative PSA0.43363
PolarSurfaceArea89.33
Druglikeness1.8647
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.625
Fragments1
Non HAtoms16
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Aromatic Nitrogens2
StereoCon

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