[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(difluoromethoxy)benzoate
Molecular Formula : C17H13N3O7F2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(difluoromethoxy)benzoate is a drug-like molecule.
MolName : [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(difluoromethoxy)benzoate |
MolecularFormula : C17H13N3O7F2 |
Smiles : [O-][N+](c(cc1)ccc1C(NNC(COC(c(cc1)ccc1OC(F)F)=O)=O)=O)=O |
InChI : InChI=1S/C17H13F2N3O7/c18-17(19)29-13-7-3-11(4-8-13)16(25)28-9-14(23)20-21-15(24)10-1-5-12(6-2-10)22(26)27/h1-8,17H,9H2,(H,20,23)(H,21,24) |
InChIK : PTKLLYMIRWDTJD-UHFFFAOYSA-N |
TotalMolweight : 409.3 |
Molweight : 409.3 |
MonoisotopicMass : 409.072158 |
CLogP : 0.4233 |
CLogS : -4.295 |
H Acceptors : 10 |
H Donors : 2 |
TotalSurfaceArea : 291.82 |
Relative PSA : 0.38537 |
PolarSurfaceArea : 139.55 |
Druglikeness : -5.0118 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.68966 |
Fragments : 1 |
Non HAtoms : 29 |
NonCHAtoms : 12 |
Electronegative Atoms : 12 |
Rotatable Bond : 9 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 5 |
AcidicOxygens : 1 |
StereoCon : |