N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

Formula:C11H10N5OF Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is a drug-like molecule.

MolNameN-[(Z)-(4-fluorophenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
MolecularFormulaC11H10N5OF
SmilesO=C(Cn1ncnc1)N/N=C\c(cc1)ccc1F
InChIInChI=1S/C11H10FN5O/c12-10-3-1-9(2-4-10)5-14-16-11(18)6-17-8-13-7-15-17/h1-5,7-8H,6H2,(H,16,18)
InChIKSYRDOYQFDHHZSZ-UHFFFAOYSA-N
TotalMolweight247.232
Molweight247.232
MonoisotopicMass247.086938
CLogP0.7356
CLogS-2.646
H Acceptors6
H Donors1
TotalSurfaceArea193.82
Relative PSA0.33443
PolarSurfaceArea72.17
Druglikeness5.1459
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.72222
Fragments1
Non HAtoms18
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms1
Symmetricatoms2
Aromatic Nitrogens3
StereoCon

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