[4-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

Formula:C23H17N3O4Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.

MolName[4-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
MolecularFormulaC23H17N3O4Br2
SmilesO=C(CNC(c1cc(Br)ccc1)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O
InChIInChI=1S/C23H17Br2N3O4/c24-17-5-3-4-16(12-17)22(30)26-14-21(29)28-27-13-15-8-10-18(11-9-15)32-23(31)19-6-1-2-7-20(19)25/h1-13H,14H2,(H,26,30)(H,28,29)
InChIKFMTIZBUSVORHJU-UHFFFAOYSA-N
TotalMolweight559.213
Molweight559.213
MonoisotopicMass556.958579
CLogP5.1662
CLogS-6.626
H Acceptors7
H Donors2
TotalSurfaceArea354.73
Relative PSA0.23553
PolarSurfaceArea96.86
Druglikeness3.2631
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.65625
Fragments1
Non HAtoms32
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms2
Amides1
StereoCon

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