4-amino-3,5-dichloro-N'-[(4-chlorophenyl)methoxy]benzenecarboximidamide
Formula:C14H12N3OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-3,5-dichloro-N'-[(4-chlorophenyl)methoxy]benzenecarboximidamide is a drug-like molecule.
| MolName | 4-amino-3,5-dichloro-N'-[(4-chlorophenyl)methoxy]benzenecarboximidamide |
| MolecularFormula | C14H12N3OCl3 |
| Smiles | N/C(/c(cc1Cl)cc(Cl)c1N)=N/OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C14H12Cl3N3O/c15-10-3-1-8(2-4-10)7-21-20-14(19)9-5-11(16)13(18)12(17)6-9/h1-6H,7,18H2,(H2,19,20) |
| InChIK | KMVDHFUSEVWIQY-UHFFFAOYSA-N |
| TotalMolweight | 344.628 |
| Molweight | 344.628 |
| MonoisotopicMass | 343.004593 |
| CLogP | 4.1304 |
| CLogS | -5.691 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 243.05 |
| Relative PSA | 0.21415 |
| PolarSurfaceArea | 73.63 |
| Druglikeness | 0.68975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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