2-(1-bromonaphthalen-2-yl)oxy-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]acetamide

Formula:C29H23N2O2Br Mutagenic:low Tumorigenic:low Reproductive Effective:none 2-(1-bromonaphthalen-2-yl)oxy-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]acetamide is not a drug-like molecule.

MolName2-(1-bromonaphthalen-2-yl)oxy-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]acetamide
MolecularFormulaC29H23N2O2Br
SmilesO=C(COc(ccc1ccccc11)c1Br)NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C29H23BrN2O2/c30-29-26-14-8-7-13-24(26)17-20-27(29)34-21-28(33)32-31-25(18-15-22-9-3-1-4-10-22)19-16-23-11-5-2-6-12-23/h1-20H,21H2,(H,32,33)
InChIKKWVVOQNULNJADZ-UHFFFAOYSA-N
TotalMolweight511.418
Molweight511.418
MonoisotopicMass510.094289
CLogP7.0278
CLogS-7.987
H Acceptors4
H Donors1
TotalSurfaceArea374.95
Relative PSA0.12271
PolarSurfaceArea50.69
Druglikeness1.4721
Mutageniclow
Tumorigeniclow
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.52941
Fragments1
Non HAtoms34
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms2
Symmetricatoms10
StereoCon

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