(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide

Formula:C24H15N3O4Cl4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide is not a drug-like molecule.

MolName(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide
MolecularFormulaC24H15N3O4Cl4
Smiles[O-][N+](c(ccc(NC(/C=C/c(ccc(Cl)c1)c1Cl)=O)c1)c1NC(/C=C/c(ccc(Cl)c1)c1Cl)=O)=O
InChIInChI=1S/C24H15Cl4N3O4/c25-16-5-1-14(19(27)11-16)3-9-23(32)29-18-7-8-22(31(34)35)21(13-18)30-24(33)10-4-15-2-6-17(26)12-20(15)28/h1-13H,(H,29,32)(H,30,33)
InChIKCUAQHIDVAWZZTQ-UHFFFAOYSA-N
TotalMolweight551.212
Molweight551.212
MonoisotopicMass548.981665
CLogP6.1154
CLogS-8.784
H Acceptors7
H Donors2
TotalSurfaceArea389.55
Relative PSA0.20388
PolarSurfaceArea104.02
Druglikeness-5.4509
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.6
Fragments1
Non HAtoms35
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms1
Amides2
AcidicOxygens1
StereoCon

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