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2-chloro-N-[(E)-3-[(2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C27H18N4O5Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-chloro-N-[(E)-3-[(2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.
MolName2-chloro-N-[(E)-3-[(2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormulaC27H18N4O5Cl2
Smiles[O-][N+](c1ccc(/C=C(\C(N/N=C\c2ccc(-c(cc3)ccc3Cl)o2)=O)/NC(c(cccc2)c2Cl)=O)cc1)=O
InChIInChI=1S/C27H18Cl2N4O5/c28-19-9-7-18(8-10-19)25-14-13-21(38-25)16-30-32-27(35)24(15-17-5-11-20(12-6-17)33(36)37)31-26(34)22-3-1-2-4-23(22)29/h1-16H,(H,31,34)(H,32,35)
InChIKUUIUAXXYVQCLQD-UHFFFAOYSA-N
TotalMolweight549.369
Molweight549.369
MonoisotopicMass548.065425
CLogP6.0476
CLogS-8.858
H Acceptors9
H Donors2
TotalSurfaceArea404.63
Relative PSA0.2596
PolarSurfaceArea129.52
Druglikeness3.0225
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.52632
Fragments1
Non HAtoms38
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms1
Symmetricatoms4
Amides1
AcidicOxygens1
StereoCon

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