4-amino-N'-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,5-oxadiazole-3-carboximidamide

Formula:C11H10N5O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N'-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,5-oxadiazole-3-carboximidamide is a drug-like molecule.

MolName4-amino-N'-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,5-oxadiazole-3-carboximidamide
MolecularFormulaC11H10N5O2F3
SmilesN/C(/c1nonc1N)=N/OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N5O2/c12-11(13,14)7-3-1-2-6(4-7)5-20-18-9(15)8-10(16)19-21-17-8/h1-4H,5H2,(H2,15,18)(H2,16,19)
InChIKTVODKKOVVLUHFE-UHFFFAOYSA-N
TotalMolweight301.227
Molweight301.227
MonoisotopicMass301.078659
CLogP2.0774
CLogS-3.053
H Acceptors7
H Donors2
TotalSurfaceArea213.46
Relative PSA0.41272
PolarSurfaceArea112.55
Druglikeness-6.3329
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.57143
Fragments1
Non HAtoms21
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms3
Symmetricatoms2
Aromatic Nitrogens2
StereoCon

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