[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
Molecular Formula : C19H16N3O7F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is a drug-like molecule.
MolName : [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate |
MolecularFormula : C19H16N3O7F |
Smiles : [O-][N+](c(cc1)ccc1C(NNC(COC(CCC(c(cc1)ccc1F)=O)=O)=O)=O)=O |
InChI : InChI=1S/C19H16FN3O7/c20-14-5-1-12(2-6-14)16(24)9-10-18(26)30-11-17(25)21-22-19(27)13-3-7-15(8-4-13)23(28)29/h1-8H,9-11H2,(H,21,25)(H,22,27) |
InChIK : NXMYMJYBNBZPAX-UHFFFAOYSA-N |
TotalMolweight : 417.348 |
Molweight : 417.348 |
MonoisotopicMass : 417.09723 |
CLogP : 0.3733 |
CLogS : -4.673 |
H Acceptors : 10 |
H Donors : 2 |
TotalSurfaceArea : 308.24 |
Relative PSA : 0.37471 |
PolarSurfaceArea : 147.39 |
Druglikeness : -5.865 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.7 |
Fragments : 1 |
Non HAtoms : 30 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
Rotatable Bond : 10 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 4 |
AcidicOxygens : 1 |
StereoCon : |