(1Z)-1-[benzotriazol-1-yl(morpholin-4-yl)methylidene]-3-phenylurea
Formula:C18H18N6O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(1Z)-1-[benzotriazol-1-yl(morpholin-4-yl)methylidene]-3-phenylurea is a drug-like molecule.
| MolName | (1Z)-1-[benzotriazol-1-yl(morpholin-4-yl)methylidene]-3-phenylurea |
| MolecularFormula | C18H18N6O2 |
| Smiles | O=C(Nc1ccccc1)/N=C(\n1nnc2c1cccc2)/N1CCOCC1 |
| InChI | InChI=1S/C18H18N6O2/c25-17(19-14-6-2-1-3-7-14)20-18(23-10-12-26-13-11-23)24-16-9-5-4-8-15(16)21-22-24/h1-9H,10-13H2,(H,19,25) |
| InChIK | RTCDBWPUKWXQHN-UHFFFAOYSA-N |
| TotalMolweight | 350.381 |
| Molweight | 350.381 |
| MonoisotopicMass | 350.149124 |
| CLogP | 2.5039 |
| CLogS | -4.132 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 268.36 |
| Relative PSA | 0.29203 |
| PolarSurfaceArea | 84.64 |
| Druglikeness | -1.4223 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (1Z)-1-[benzotriazol-1-yl(morpholin-4-yl)methylidene]-3-phenylurea | 2 - (1Z)-1-[benzotriazol-1-yl(morpholin-4-yl)methylidene]-3-phenylurea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off