N'-[2-(3,4-dichlorophenoxy)acetyl]-4-nitrobenzohydrazide
Molecular Formula : C15H11N3O5Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |N'-[2-(3,4-dichlorophenoxy)acetyl]-4-nitrobenzohydrazide is a drug-like molecule.
MolName : N'-[2-(3,4-dichlorophenoxy)acetyl]-4-nitrobenzohydrazide |
MolecularFormula : C15H11N3O5Cl2 |
Smiles : [O-][N+](c(cc1)ccc1C(NNC(COc(cc1)cc(Cl)c1Cl)=O)=O)=O |
InChI : InChI=1S/C15H11Cl2N3O5/c16-12-6-5-11(7-13(12)17)25-8-14(21)18-19-15(22)9-1-3-10(4-2-9)20(23)24/h1-7H,8H2,(H,18,21)(H,19,22) |
InChIK : AGHMGECGUNNNLS-UHFFFAOYSA-N |
TotalMolweight : 384.174 |
Molweight : 384.174 |
MonoisotopicMass : 383.007576 |
CLogP : 1.4829 |
CLogS : -5.022 |
H Acceptors : 8 |
H Donors : 2 |
TotalSurfaceArea : 269.71 |
Relative PSA : 0.33154 |
PolarSurfaceArea : 113.25 |
Druglikeness : -3.4697 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.68 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 6 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |