[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

Formula:C27H19N3O5BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.

MolName[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
MolecularFormulaC27H19N3O5BrClS
SmilesO=C(c(cccc1)c1NS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O
InChIInChI=1S/C27H19BrClN3O5S/c28-24-7-3-1-5-22(24)27(34)37-20-13-9-18(10-14-20)17-30-31-26(33)23-6-2-4-8-25(23)32-38(35,36)21-15-11-19(29)12-16-21/h1-17,32H,(H,31,33)
InChIKZLPINLZDRGLTPA-UHFFFAOYSA-N
TotalMolweight612.887
Molweight612.887
MonoisotopicMass610.99173
CLogP6.2624
CLogS-8.094
H Acceptors8
H Donors2
TotalSurfaceArea408.35
Relative PSA0.24266
PolarSurfaceArea122.31
Druglikeness3.5657
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.60526
Fragments1
Non HAtoms38
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms2
Symmetricatoms5
Amides1
StereoCon

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