N'-[2-(2,4-dichlorophenyl)acetyl]-4-nitrobenzohydrazide
Molecular Formula : C15H11N3O4Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N'-[2-(2,4-dichlorophenyl)acetyl]-4-nitrobenzohydrazide is a drug-like molecule.
MolName : N'-[2-(2,4-dichlorophenyl)acetyl]-4-nitrobenzohydrazide |
MolecularFormula : C15H11N3O4Cl2 |
Smiles : [O-][N+](c(cc1)ccc1C(NNC(Cc(ccc(Cl)c1)c1Cl)=O)=O)=O |
InChI : InChI=1S/C15H11Cl2N3O4/c16-11-4-1-10(13(17)8-11)7-14(21)18-19-15(22)9-2-5-12(6-3-9)20(23)24/h1-6,8H,7H2,(H,18,21)(H,19,22) |
InChIK : QGCQXVVIGYDAIQ-UHFFFAOYSA-N |
TotalMolweight : 368.175 |
Molweight : 368.175 |
MonoisotopicMass : 367.012661 |
CLogP : 1.9061 |
CLogS : -5.207 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 259.71 |
Relative PSA : 0.3058 |
PolarSurfaceArea : 104.02 |
Druglikeness : -3.3733 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 2 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |