(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene-(diaminomethylideneamino)azanium
Formula:C15H16N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene-(diaminomethylideneamino)azanium is a drug-like molecule.
| MolName | (E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene-(diaminomethylideneamino)azanium |
| MolecularFormula | C15H16N4OCl |
| Smiles | NC(N)=N/[NH+]=C/c(cc1)ccc1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C15H15ClN4O/c16-13-5-1-12(2-6-13)10-21-14-7-3-11(4-8-14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/p+1 |
| InChIK | YGTWHYDKFQWMCH-UHFFFAOYSA-O |
| TotalMolweight | 303.772 |
| Molweight | 303.772 |
| MonoisotopicMass | 303.101263 |
| CLogP | 3.2109 |
| CLogS | -5.067 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 225.46 |
| Relative PSA | 0.23086 |
| PolarSurfaceArea | 87.6 |
| Druglikeness | -1.7069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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