(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione

Formula:C17H10N2O4ClF Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormulaC17H10N2O4ClF
SmilesOc(ccc(/C=C(/C(NC(N1c2cc(F)ccc2)=O)=O)\C1=O)c1)c1Cl
InChIInChI=1S/C17H10ClFN2O4/c18-13-7-9(4-5-14(13)22)6-12-15(23)20-17(25)21(16(12)24)11-3-1-2-10(19)8-11/h1-8,22H,(H,20,23,25)
InChIKXTIAERWYDGPRBL-UHFFFAOYSA-N
TotalMolweight360.727
Molweight360.727
MonoisotopicMass360.031313
CLogP2.5165
CLogS-4.641
H Acceptors6
H Donors2
TotalSurfaceArea247.36
Relative PSA0.27179
PolarSurfaceArea86.71
Druglikeness3.4211
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.52
Fragments1
Non HAtoms25
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond2
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Amides2
StereoCon

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