5-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate
Molecular Formula : C12H8N2O5BrS | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |5-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate is a drug-like molecule.
MolName : 5-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate |
MolecularFormula : C12H8N2O5BrS |
Smiles : [O-]S(c1ccc(/C=N\NC(c(cc2)ccc2Br)=O)o1)(=O)=O |
InChI : InChI=1S/C12H9BrN2O5S/c13-9-3-1-8(2-4-9)12(16)15-14-7-10-5-6-11(20-10)21(17,18)19/h1-7H,(H,15,16)(H,17,18,19)/p-1 |
InChIK : AMLZNBVCQXCGAI-UHFFFAOYSA-M |
TotalMolweight : 372.175 |
Molweight : 372.175 |
MonoisotopicMass : 370.933729 |
CLogP : -0.264 |
CLogS : -2.606 |
H Acceptors : 7 |
H Donors : 1 |
TotalSurfaceArea : 231.42 |
Relative PSA : 0.40178 |
PolarSurfaceArea : 120.18 |
Druglikeness : -3.1223 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 2 |
Symmetricatoms : 3 |
AcidicOxygens : 1 |
StereoCon : |