1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]urea

Formula:C10H9N6O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]urea is a drug-like molecule.

MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]urea
MolecularFormulaC10H9N6O2F
SmilesNc1nonc1NC(N/N=C/c(cccc1)c1F)=O
InChIInChI=1S/C10H9FN6O2/c11-7-4-2-1-3-6(7)5-13-15-10(18)14-9-8(12)16-19-17-9/h1-5H,(H2,12,16)(H2,14,15,17,18)
InChIKWEWFYPALYWMJBZ-UHFFFAOYSA-N
TotalMolweight264.219
Molweight264.219
MonoisotopicMass264.077102
CLogP1.8331
CLogS-3.92
H Acceptors8
H Donors3
TotalSurfaceArea200.53
Relative PSA0.49264
PolarSurfaceArea118.43
Druglikeness3.4903
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.63158
Fragments1
Non HAtoms19
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Amides1
Aromatic Nitrogens2
StereoCon

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