[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]urea
Formula:C18H15N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]urea |
| MolecularFormula | C18H15N5O |
| Smiles | NC(N/N=C\c1cn(Cc(cccc2)c2C#N)c2c1cccc2)=O |
| InChI | InChI=1S/C18H15N5O/c19-9-13-5-1-2-6-14(13)11-23-12-15(10-21-22-18(20)24)16-7-3-4-8-17(16)23/h1-8,10,12H,11H2,(H3,20,22,24) |
| InChIK | GLNQNKUTHGFRNE-UHFFFAOYSA-N |
| TotalMolweight | 317.351 |
| Molweight | 317.351 |
| MonoisotopicMass | 317.12766 |
| CLogP | 2.5006 |
| CLogS | -4.565 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 254.78 |
| Relative PSA | 0.28146 |
| PolarSurfaceArea | 96.2 |
| Druglikeness | 1.7297 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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