N-[(Z)-(2,4-difluorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide

Formula:C15H10N2O3F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2,4-difluorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.

MolNameN-[(Z)-(2,4-difluorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
MolecularFormulaC15H10N2O3F2
SmilesO=C(c(cc1)cc2c1OCO2)N/N=C\c(ccc(F)c1)c1F
InChIInChI=1S/C15H10F2N2O3/c16-11-3-1-10(12(17)6-11)7-18-19-15(20)9-2-4-13-14(5-9)22-8-21-13/h1-7H,8H2,(H,19,20)
InChIKHCFIDGIPMYGOBH-UHFFFAOYSA-N
TotalMolweight304.251
Molweight304.251
MonoisotopicMass304.065949
CLogP3.5146
CLogS-5.06
H Acceptors5
H Donors1
TotalSurfaceArea219.95
Relative PSA0.25465
PolarSurfaceArea59.92
Druglikeness2.8978
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.63636
Fragments1
Non HAtoms22
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond3
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
StereoCon

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