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N-[2-[(2Z)-2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

Formula:C18H13N3O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[2-[(2Z)-2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is a drug-like molecule.
MolNameN-[2-[(2Z)-2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
MolecularFormulaC18H13N3O4Cl2
SmilesO=C(CNC(c1ccco1)=O)N/N=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1
InChIInChI=1S/C18H13Cl2N3O4/c19-11-3-5-14(20)13(8-11)15-6-4-12(27-15)9-22-23-17(24)10-21-18(25)16-2-1-7-26-16/h1-9H,10H2,(H,21,25)(H,23,24)
InChIKQNFXRHIJHDLKGN-UHFFFAOYSA-N
TotalMolweight406.224
Molweight406.224
MonoisotopicMass405.028311
CLogP3.6249
CLogS-6.102
H Acceptors7
H Donors2
TotalSurfaceArea299.94
Relative PSA0.29583
PolarSurfaceArea96.84
Druglikeness7.2394
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.62963
Fragments1
Non HAtoms27
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms1
Amides1
StereoCon

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