[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate
Molecular Formula : C16H11N3O6Cl2 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : high |[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate is a drug-like molecule.
MolName : [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate |
MolecularFormula : C16H11N3O6Cl2 |
Smiles : [O-][N+](c(cc1)ccc1C(NNC(COC(c(cc(cc1)Cl)c1Cl)=O)=O)=O)=O |
InChI : InChI=1S/C16H11Cl2N3O6/c17-10-3-6-13(18)12(7-10)16(24)27-8-14(22)19-20-15(23)9-1-4-11(5-2-9)21(25)26/h1-7H,8H2,(H,19,22)(H,20,23) |
InChIK : BHFPVYVLYNGXOW-UHFFFAOYSA-N |
TotalMolweight : 412.184 |
Molweight : 412.184 |
MonoisotopicMass : 411.002491 |
CLogP : 1.4659 |
CLogS : -5.145 |
H Acceptors : 9 |
H Donors : 2 |
TotalSurfaceArea : 287.46 |
Relative PSA : 0.35643 |
PolarSurfaceArea : 130.32 |
Druglikeness : -2.1751 |
Mutagenic : none |
Tumorigenic : high |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.62963 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
Rotatable Bond : 7 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |