[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]urea
Formula:C17H14N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]urea |
| MolecularFormula | C17H14N4OCl2 |
| Smiles | NC(N/N=C\c1cn(Cc(cc2)cc(Cl)c2Cl)c2c1cccc2)=O |
| InChI | InChI=1S/C17H14Cl2N4O/c18-14-6-5-11(7-15(14)19)9-23-10-12(8-21-22-17(20)24)13-3-1-2-4-16(13)23/h1-8,10H,9H2,(H3,20,22,24) |
| InChIK | TUFDDSWZNNWBSE-UHFFFAOYSA-N |
| TotalMolweight | 361.231 |
| Molweight | 361.231 |
| MonoisotopicMass | 360.054465 |
| CLogP | 3.877 |
| CLogS | -5.264 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 263.91 |
| Relative PSA | 0.22034 |
| PolarSurfaceArea | 72.41 |
| Druglikeness | 6.0236 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]urea | 2 - [(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off