4-benzamido-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide

Formula:C31H25N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-benzamido-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide is not a drug-like molecule.

MolName4-benzamido-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
MolecularFormulaC31H25N3O2
SmilesO=C(c1ccccc1)Nc(cc1)ccc1C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)=O
InChIInChI=1S/C31H25N3O2/c35-30(26-14-8-3-9-15-26)32-28-22-18-27(19-23-28)31(36)34-33-29(20-16-24-10-4-1-5-11-24)21-17-25-12-6-2-7-13-25/h1-23H,(H,32,35)(H,34,36)
InChIKFQEVVHKGXVEHPV-UHFFFAOYSA-N
TotalMolweight471.559
Molweight471.559
MonoisotopicMass471.194677
CLogP6.6808
CLogS-7.279
H Acceptors5
H Donors2
TotalSurfaceArea386.93
Relative PSA0.15638
PolarSurfaceArea70.56
Druglikeness3.8847
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.55556
Fragments1
Non HAtoms36
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Symmetricatoms14
Amides1
StereoCon

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