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[4-bromo-2-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C25H20N3O7Br Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is not a drug-like molecule.
MolName[4-bromo-2-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormulaC25H20N3O7Br
SmilesO=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C\c(cc(cc1)Br)c1OC(/C=C/c1ccco1)=O
InChIInChI=1S/C25H20BrN3O7/c26-18-4-7-20(36-24(31)8-5-19-2-1-9-33-19)17(12-18)14-28-29-23(30)15-27-25(32)16-3-6-21-22(13-16)35-11-10-34-21/h1-9,12-14H,10-11,15H2,(H,27,32)(H,29,30)
InChIKAIJACDHJPZZMNN-UHFFFAOYSA-N
TotalMolweight554.352
Molweight554.352
MonoisotopicMass553.048463
CLogP3.9377
CLogS-6.026
H Acceptors10
H Donors2
TotalSurfaceArea386.31
Relative PSA0.30457
PolarSurfaceArea128.46
Druglikeness-5.8397
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.61111
Fragments1
Non HAtoms36
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms6
Amides1
StereoCon

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