(E)-N'-[2-(4-bromophenoxy)acetyl]-3-(4-fluorophenyl)prop-2-enehydrazide

Formula:C17H14N2O3BrF Mutagenic:low Tumorigenic:none Reproductive Effective:none (E)-N'-[2-(4-bromophenoxy)acetyl]-3-(4-fluorophenyl)prop-2-enehydrazide is a drug-like molecule.

MolName(E)-N'-[2-(4-bromophenoxy)acetyl]-3-(4-fluorophenyl)prop-2-enehydrazide
MolecularFormulaC17H14N2O3BrF
SmilesO=C(COc(cc1)ccc1Br)NNC(/C=C/c(cc1)ccc1F)=O
InChIInChI=1S/C17H14BrFN2O3/c18-13-4-8-15(9-5-13)24-11-17(23)21-20-16(22)10-3-12-1-6-14(19)7-2-12/h1-10H,11H2,(H,20,22)(H,21,23)
InChIKZKWMNQXEGRAQPY-UHFFFAOYSA-N
TotalMolweight393.211
Molweight393.211
MonoisotopicMass392.017182
CLogP2.3477
CLogS-4.608
H Acceptors5
H Donors2
TotalSurfaceArea266.68
Relative PSA0.22124
PolarSurfaceArea67.43
Druglikeness-2.5924
Mutageniclow
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.75
Fragments1
Non HAtoms24
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms4
StereoCon

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