3-chloro-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide

Formula:C22H15N2O2Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-chloro-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide is not a drug-like molecule.

MolName3-chloro-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
MolecularFormulaC22H15N2O2Cl3
SmilesO=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1cc(NC(c2cc(Cl)ccc2)=O)ccc1
InChIInChI=1S/C22H15Cl3N2O2/c23-16-4-1-3-15(11-16)22(29)27-19-6-2-5-18(13-19)26-21(28)10-8-14-7-9-17(24)12-20(14)25/h1-13H,(H,26,28)(H,27,29)
InChIKFKVRADKHHIQBAT-UHFFFAOYSA-N
TotalMolweight445.732
Molweight445.732
MonoisotopicMass444.019909
CLogP6.1018
CLogS-7.218
H Acceptors4
H Donors2
TotalSurfaceArea323.96
Relative PSA0.15125
PolarSurfaceArea58.2
Druglikeness-0.36294
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.62069
Fragments1
Non HAtoms29
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Amides2
StereoCon

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