[4-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate

Formula:C25H21N2O5BrCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high [4-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate is not a drug-like molecule.

MolName[4-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate
MolecularFormulaC25H21N2O5BrCl2
SmilesO=C(COc(cc1)ccc1Br)N/N=C\c(cc1)ccc1OC(CCCOc(ccc(Cl)c1)c1Cl)=O
InChIInChI=1S/C25H21BrCl2N2O5/c26-18-5-10-20(11-6-18)34-16-24(31)30-29-15-17-3-8-21(9-4-17)35-25(32)2-1-13-33-23-12-7-19(27)14-22(23)28/h3-12,14-15H,1-2,13,16H2,(H,30,31)
InChIKXIDBNPKMVCXSTR-UHFFFAOYSA-N
TotalMolweight580.261
Molweight580.261
MonoisotopicMass578.001088
CLogP6.6279
CLogS-7.597
H Acceptors7
H Donors1
TotalSurfaceArea399.01
Relative PSA0.19812
PolarSurfaceArea86.22
Druglikeness-3.9839
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.74286
Fragments1
Non HAtoms35
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond12
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms7
Symmetricatoms4
StereoCon

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