2-[2-chloro-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]-N-(2-fluorophenyl)acetamide

Formula:C24H17N3O4ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-chloro-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]-N-(2-fluorophenyl)acetamide is a drug-like molecule.

MolName2-[2-chloro-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]-N-(2-fluorophenyl)acetamide
MolecularFormulaC24H17N3O4ClF
SmilesO=C(COc(ccc(/C=C(/C(NN1c2ccccc2)=O)\C1=O)c1)c1Cl)Nc(cccc1)c1F
InChIInChI=1S/C24H17ClFN3O4/c25-18-13-15(12-17-23(31)28-29(24(17)32)16-6-2-1-3-7-16)10-11-21(18)33-14-22(30)27-20-9-5-4-8-19(20)26/h1-13H,14H2,(H,27,30)(H,28,31)
InChIKWLIPGGXJNMWAKY-UHFFFAOYSA-N
TotalMolweight465.867
Molweight465.867
MonoisotopicMass465.089162
CLogP2.7728
CLogS-5.232
H Acceptors7
H Donors2
TotalSurfaceArea335.99
Relative PSA0.22498
PolarSurfaceArea87.74
Druglikeness3.1902
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.60606
Fragments1
Non HAtoms33
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms2
Amides1
StereoCon

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