3-bromo-N'-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide

Formula:C16H12N2O2Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-bromo-N'-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide is a drug-like molecule.

MolName3-bromo-N'-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide
MolecularFormulaC16H12N2O2Br2
SmilesO=C(/C=C/NNC(c1cccc(Br)c1)=O)c1cc(Br)ccc1
InChIInChI=1S/C16H12Br2N2O2/c17-13-5-1-3-11(9-13)15(21)7-8-19-20-16(22)12-4-2-6-14(18)10-12/h1-10,19H,(H,20,22)
InChIKYMTPEYGNWIKUPX-UHFFFAOYSA-N
TotalMolweight424.091
Molweight424.091
MonoisotopicMass421.92655
CLogP2.7354
CLogS-5.636
H Acceptors4
H Donors2
TotalSurfaceArea255.2
Relative PSA0.19201
PolarSurfaceArea58.2
Druglikeness0.86417
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.63636
Fragments1
Non HAtoms22
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
StereoCon

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