(4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoic acid
Molecular Formula : C17H14N2O3BrF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoic acid is a drug-like molecule.
MolName : (4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoic acid |
MolecularFormula : C17H14N2O3BrF |
Smiles : OC(CC/C(/c(cc1)ccc1Br)=N/NC(c(cc1)ccc1F)=O)=O |
InChI : InChI=1S/C17H14BrFN2O3/c18-13-5-1-11(2-6-13)15(9-10-16(22)23)20-21-17(24)12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H,21,24)(H,22,23) |
InChIK : JQSAFDVRDYIAQC-UHFFFAOYSA-N |
TotalMolweight : 393.211 |
Molweight : 393.211 |
MonoisotopicMass : 392.017182 |
CLogP : 3.598 |
CLogS : -5.244 |
H Acceptors : 5 |
H Donors : 2 |
TotalSurfaceArea : 261.8 |
Relative PSA : 0.23739 |
PolarSurfaceArea : 78.76 |
Druglikeness : -1.1126 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone |
Shape Index : 0.58333 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 6 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 3 |
Symmetricatoms : 4 |
AcidicOxygens : 1 |
StereoCon : |