2-[4-bromo-2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
Molecular Formula : C16H12N2O4BrCl | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |2-[4-bromo-2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
MolName : 2-[4-bromo-2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid |
MolecularFormula : C16H12N2O4BrCl |
Smiles : OC(COc(cc1)c(/C=N\NC(c(cc2)ccc2Cl)=O)cc1Br)=O |
InChI : InChI=1S/C16H12BrClN2O4/c17-12-3-6-14(24-9-15(21)22)11(7-12)8-19-20-16(23)10-1-4-13(18)5-2-10/h1-8H,9H2,(H,20,23)(H,21,22) |
InChIK : GALJSZPXYRKZGC-UHFFFAOYSA-N |
TotalMolweight : 411.638 |
Molweight : 411.638 |
MonoisotopicMass : 409.966896 |
CLogP : 3.5928 |
CLogS : -5.084 |
H Acceptors : 6 |
H Donors : 2 |
TotalSurfaceArea : 268.9 |
Relative PSA : 0.26832 |
PolarSurfaceArea : 87.99 |
Druglikeness : 2.4552 |
Mutagenic : high |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.625 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 6 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |