[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]urea
Formula:C17H15N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]urea |
| MolecularFormula | C17H15N4OCl |
| Smiles | NC(N/N=C\c1cn(Cc(cccc2)c2Cl)c2c1cccc2)=O |
| InChI | InChI=1S/C17H15ClN4O/c18-15-7-3-1-5-12(15)10-22-11-13(9-20-21-17(19)23)14-6-2-4-8-16(14)22/h1-9,11H,10H2,(H3,19,21,23) |
| InChIK | XTRXRRLURLNVLT-UHFFFAOYSA-N |
| TotalMolweight | 326.786 |
| Molweight | 326.786 |
| MonoisotopicMass | 326.093438 |
| CLogP | 3.271 |
| CLogS | -4.528 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 248.49 |
| Relative PSA | 0.23401 |
| PolarSurfaceArea | 72.41 |
| Druglikeness | 6.0236 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| 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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1 - [(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]urea | 2 - [(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]urea
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