[4-[[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]carbamoyl]phenyl]methylazanium
Formula:C16H16N3O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]carbamoyl]phenyl]methylazanium is a drug-like molecule.
| MolName | [4-[[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]carbamoyl]phenyl]methylazanium |
| MolecularFormula | C16H16N3O2F2 |
| Smiles | [NH3+]Cc(cc1)ccc1C(N/N=C\c(cc1)ccc1OC(F)F)=O |
| InChI | InChI=1S/C16H15F2N3O2/c17-16(18)23-14-7-3-12(4-8-14)10-20-21-15(22)13-5-1-11(9-19)2-6-13/h1-8,10,16H,9,19H2,(H,21,22)/p+1 |
| InChIK | JNXOEIGPKDQTLC-UHFFFAOYSA-O |
| TotalMolweight | 320.318 |
| Molweight | 320.318 |
| MonoisotopicMass | 320.121058 |
| CLogP | -0.7949 |
| CLogS | -4.303 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 243.68 |
| Relative PSA | 0.24824 |
| PolarSurfaceArea | 78.33 |
| Druglikeness | 0.0325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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