4-bromo-N'-[(3E,5E)-6-phenylhexa-1,3,5-trien-2-yl]benzohydrazide

Formula:C19H17N2OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N'-[(3E,5E)-6-phenylhexa-1,3,5-trien-2-yl]benzohydrazide is a drug-like molecule.

MolName4-bromo-N'-[(3E,5E)-6-phenylhexa-1,3,5-trien-2-yl]benzohydrazide
MolecularFormulaC19H17N2OBr
SmilesC=C(/C=C/C=C/c1ccccc1)NNC(c(cc1)ccc1Br)=O
InChIInChI=1S/C19H17BrN2O/c1-15(7-5-6-10-16-8-3-2-4-9-16)21-22-19(23)17-11-13-18(20)14-12-17/h2-14,21H,1H2,(H,22,23)
InChIKZPMRIUCOJVPALR-UHFFFAOYSA-N
TotalMolweight369.261
Molweight369.261
MonoisotopicMass368.052424
CLogP4.7071
CLogS-5.491
H Acceptors3
H Donors2
TotalSurfaceArea268.07
Relative PSA0.13414
PolarSurfaceArea41.13
Druglikeness-2.395
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.73913
Fragments1
Non HAtoms23
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Symmetricatoms4
StereoCon

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