(3Z)-1-(4-chlorophenyl)-3-[2-(4-cyanophenyl)-3H-isoindol-1-ylidene]urea
Formula:C22H15N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-1-(4-chlorophenyl)-3-[2-(4-cyanophenyl)-3H-isoindol-1-ylidene]urea is a drug-like molecule.
| MolName | (3Z)-1-(4-chlorophenyl)-3-[2-(4-cyanophenyl)-3H-isoindol-1-ylidene]urea |
| MolecularFormula | C22H15N4OCl |
| Smiles | N#Cc(cc1)ccc1N(Cc1c2cccc1)/C2=N\C(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C22H15ClN4O/c23-17-7-9-18(10-8-17)25-22(28)26-21-20-4-2-1-3-16(20)14-27(21)19-11-5-15(13-24)6-12-19/h1-12H,14H2,(H,25,28) |
| InChIK | RMWGLYFEHPGDNC-UHFFFAOYSA-N |
| TotalMolweight | 386.841 |
| Molweight | 386.841 |
| MonoisotopicMass | 386.093438 |
| CLogP | 4.3808 |
| CLogS | -6.874 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 292.65 |
| Relative PSA | 0.18151 |
| PolarSurfaceArea | 68.49 |
| Druglikeness | -1.6655 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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