3-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-5-nitrobenzamide
Formula:C14H11N4O3F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-5-nitrobenzamide is a drug-like molecule.
| MolName | 3-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-5-nitrobenzamide |
| MolecularFormula | C14H11N4O3F |
| Smiles | Nc1cc(C(N/N=C\c(cc2)ccc2F)=O)cc([N+]([O-])=O)c1 |
| InChI | InChI=1S/C14H11FN4O3/c15-11-3-1-9(2-4-11)8-17-18-14(20)10-5-12(16)7-13(6-10)19(21)22/h1-8H,16H2,(H,18,20) |
| InChIK | WBBWVVPWLWZXRV-UHFFFAOYSA-N |
| TotalMolweight | 302.264 |
| Molweight | 302.264 |
| MonoisotopicMass | 302.081519 |
| CLogP | 1.7035 |
| CLogS | -4.571 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 225.53 |
| Relative PSA | 0.36226 |
| PolarSurfaceArea | 113.3 |
| Druglikeness | -2.1488 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-5-nitrobenzamide | 2 - 3-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-5-nitrobenzamide
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