3-(diaminomethylideneamino)propyl 4-phenylmethoxybenzoate
Formula:C18H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(diaminomethylideneamino)propyl 4-phenylmethoxybenzoate is a drug-like molecule.
| MolName | 3-(diaminomethylideneamino)propyl 4-phenylmethoxybenzoate |
| MolecularFormula | C18H21N3O3 |
| Smiles | NC(N)=NCCCOC(c(cc1)ccc1OCc1ccccc1)=O |
| InChI | InChI=1S/C18H21N3O3/c19-18(20)21-11-4-12-23-17(22)15-7-9-16(10-8-15)24-13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H4,19,20,21) |
| InChIK | BFLZUNWWJNRRSN-UHFFFAOYSA-N |
| TotalMolweight | 327.383 |
| Molweight | 327.383 |
| MonoisotopicMass | 327.158292 |
| CLogP | 2.0175 |
| CLogS | -3.838 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 265.82 |
| Relative PSA | 0.28248 |
| PolarSurfaceArea | 99.93 |
| Druglikeness | 0.25161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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