1-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-3-phenylurea
Formula:C23H19N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-3-phenylurea is not a drug-like molecule.
| MolName | 1-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-3-phenylurea |
| MolecularFormula | C23H19N4OCl |
| Smiles | O=C(Nc1ccccc1)N/N=C\c1cn(Cc(cccc2)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C23H19ClN4O/c24-21-12-6-4-8-17(21)15-28-16-18(20-11-5-7-13-22(20)28)14-25-27-23(29)26-19-9-2-1-3-10-19/h1-14,16H,15H2,(H2,26,27,29) |
| InChIK | RPCUGHIQRPZBBA-UHFFFAOYSA-N |
| TotalMolweight | 402.884 |
| Molweight | 402.884 |
| MonoisotopicMass | 402.124738 |
| CLogP | 5.3312 |
| CLogS | -5.951 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 311.19 |
| Relative PSA | 0.17462 |
| PolarSurfaceArea | 58.42 |
| Druglikeness | 5.5862 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-3-phenylurea | 2 - 1-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-3-phenylurea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off