(E)-(diaminomethylideneamino)-[(4-morpholin-4-ylphenyl)methylidene]azanium
Formula:C12H18N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-(diaminomethylideneamino)-[(4-morpholin-4-ylphenyl)methylidene]azanium is a drug-like molecule.
| MolName | (E)-(diaminomethylideneamino)-[(4-morpholin-4-ylphenyl)methylidene]azanium |
| MolecularFormula | C12H18N5O |
| Smiles | NC(N)=N/[NH+]=C/c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C12H17N5O/c13-12(14)16-15-9-10-1-3-11(4-2-10)17-5-7-18-8-6-17/h1-4,9H,5-8H2,(H4,13,14,16)/p+1 |
| InChIK | DEKLEPKHEPCFMW-UHFFFAOYSA-O |
| TotalMolweight | 248.309 |
| Molweight | 248.309 |
| MonoisotopicMass | 248.151135 |
| CLogP | 0.9258 |
| CLogS | -3.093 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 188.36 |
| Relative PSA | 0.29518 |
| PolarSurfaceArea | 90.84 |
| Druglikeness | 1.0099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-(diaminomethylideneamino)-[(4-morpholin-4-ylphenyl)methylidene]azanium | 2 - (E)-(diaminomethylideneamino)-[(4-morpholin-4-ylphenyl)methylidene]azanium
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