N,N'-bis[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]nonanediamide

Formula:C39H40N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]nonanediamide is not a drug-like molecule.

MolNameN,N'-bis[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]nonanediamide
MolecularFormulaC39H40N4O2
SmilesO=C(CCCCCCCC(N/N=C(\C=C\c1ccccc1)/c1ccccc1)=O)N/N=C(\C=C\c1ccccc1)/c1ccccc1
InChIInChI=1S/C39H40N4O2/c44-38(42-40-36(34-22-12-6-13-23-34)30-28-32-18-8-4-9-19-32)26-16-2-1-3-17-27-39(45)43-41-37(35-24-14-7-15-25-35)31-29-33-20-10-5-11-21-33/h4-15,18-25,28-31H,1-3,16-17,26-27H2,(H,42,44)(H,43,45)
InChIKDFFZVOLNHOLTLS-UHFFFAOYSA-N
TotalMolweight596.773
Molweight596.773
MonoisotopicMass596.315126
CLogP9.141
CLogS-9.808
H Acceptors6
H Donors2
TotalSurfaceArea506.22
Relative PSA0.14227
PolarSurfaceArea82.92
Druglikeness-5.0914
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.6
Fragments1
Non HAtoms45
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond16
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms7
Symmetricatoms26
StereoCon

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