(E)-[2-(benzenesulfonyloxy)phenyl]methylidene-(diaminomethylideneamino)azanium
Formula:C14H15N4O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-[2-(benzenesulfonyloxy)phenyl]methylidene-(diaminomethylideneamino)azanium is a drug-like molecule.
| MolName | (E)-[2-(benzenesulfonyloxy)phenyl]methylidene-(diaminomethylideneamino)azanium |
| MolecularFormula | C14H15N4O3S |
| Smiles | NC(N)=N/[NH+]=C/c(cccc1)c1OS(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C14H14N4O3S/c15-14(16)18-17-10-11-6-4-5-9-13(11)21-22(19,20)12-7-2-1-3-8-12/h1-10H,(H4,15,16,18)/p+1 |
| InChIK | JMCMXQXKKZNDGC-UHFFFAOYSA-O |
| TotalMolweight | 319.364 |
| Molweight | 319.364 |
| MonoisotopicMass | 319.086486 |
| CLogP | 2.1357 |
| CLogS | -3.764 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 224.86 |
| Relative PSA | 0.35858 |
| PolarSurfaceArea | 130.12 |
| Druglikeness | -6.0902 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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