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2-chloro-N-[2-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

Formula:C14H12N5O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-N-[2-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
MolName2-chloro-N-[2-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
MolecularFormulaC14H12N5O4Cl
SmilesO=C(CNC(c(cccc1)c1Cl)=O)N/N=C\C(NC(N1)=O)=CC1=O
InChIInChI=1S/C14H12ClN5O4/c15-10-4-2-1-3-9(10)13(23)16-7-12(22)20-17-6-8-5-11(21)19-14(24)18-8/h1-6H,7H2,(H,16,23)(H,20,22)(H2,18,19,21,24)
InChIKMTAWMEYHOMYDIG-UHFFFAOYSA-N
TotalMolweight349.733
Molweight349.733
MonoisotopicMass349.057782
CLogP-0.2127
CLogS-3.5
H Acceptors9
H Donors4
TotalSurfaceArea255.25
Relative PSA0.42903
PolarSurfaceArea128.76
Druglikeness4.7385
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.625
Fragments1
Non HAtoms24
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms1
Amides3
StereoCon

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