1-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
Formula:C14H18N4OCl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea is a drug-like molecule.
| MolName | 1-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea |
| MolecularFormula | C14H18N4OCl2S |
| Smiles | S=C(NCCN1CCOCC1)N/N=C\c1cccc(Cl)c1Cl |
| InChI | InChI=1S/C14H18Cl2N4OS/c15-12-3-1-2-11(13(12)16)10-18-19-14(22)17-4-5-20-6-8-21-9-7-20/h1-3,10H,4-9H2,(H2,17,19,22) |
| InChIK | YTJYHTFTSFNNHJ-UHFFFAOYSA-N |
| TotalMolweight | 361.296 |
| Molweight | 361.296 |
| MonoisotopicMass | 360.057835 |
| CLogP | 2.7643 |
| CLogS | -3.776 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 273.85 |
| Relative PSA | 0.27745 |
| PolarSurfaceArea | 80.98 |
| Druglikeness | 4.4118 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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