N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2,4-dinitroaniline
Formula:C14H10N4O5F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2,4-dinitroaniline is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2,4-dinitroaniline |
| MolecularFormula | C14H10N4O5F2 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\c(cc1)ccc1OC(F)F)=O |
| InChI | InChI=1S/C14H10F2N4O5/c15-14(16)25-11-4-1-9(2-5-11)8-17-18-12-6-3-10(19(21)22)7-13(12)20(23)24/h1-8,14,18H |
| InChIK | FUWUKMSGURBECH-UHFFFAOYSA-N |
| TotalMolweight | 352.252 |
| Molweight | 352.252 |
| MonoisotopicMass | 352.061927 |
| CLogP | 3.1671 |
| CLogS | -4.691 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 251.78 |
| Relative PSA | 0.37259 |
| PolarSurfaceArea | 125.26 |
| Druglikeness | -5.975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| AcidicOxygens | 2 |
| StereoCon |
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