[4-bromo-2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Molecular Formula : C15H11N3O2BrClS | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |[4-bromo-2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is a drug-like molecule.
MolName : [4-bromo-2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate |
MolecularFormula : C15H11N3O2BrClS |
Smiles : NC(N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O)=S |
InChI : InChI=1S/C15H11BrClN3O2S/c16-11-3-6-13(10(7-11)8-19-20-15(18)23)22-14(21)9-1-4-12(17)5-2-9/h1-8H,(H3,18,20,23) |
InChIK : ZOSTVSFBGHLYKK-UHFFFAOYSA-N |
TotalMolweight : 412.694 |
Molweight : 412.694 |
MonoisotopicMass : 410.944385 |
CLogP : 4.2937 |
CLogS : -5.938 |
H Acceptors : 5 |
H Donors : 2 |
TotalSurfaceArea : 272.27 |
Relative PSA : 0.32791 |
PolarSurfaceArea : 108.8 |
Druglikeness : 0.2727 |
Mutagenic : high |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde; thio-amide/urea |
Shape Index : 0.6087 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 2 |
Symmetricatoms : 2 |
StereoCon : |