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C25H20N3O7Br | Cheminformatics
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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

Molecular 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

MolecularFormula : C25H20N3O7Br

Smiles : O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C\c(cc(cc1)Br)c1OC(/C=C/c1ccco1)=O

InChI : InChI=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)

InChIK : AIJACDHJPZZMNN-UHFFFAOYSA-N

TotalMolweight : 554.352

Molweight : 554.352

MonoisotopicMass : 553.048463

CLogP : 3.9377

CLogS : -6.026

H Acceptors : 10

H Donors : 2

TotalSurfaceArea : 386.31

Relative PSA : 0.30457

PolarSurfaceArea : 128.46

Druglikeness : -5.8397

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.61111

Fragments : 1

Non HAtoms : 36

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 9

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 6

Amides : 1

StereoCon :

Click to Load Molecule:
1 - [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
2 - [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
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Request More Details | [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


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