1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
Formula:C15H21N4OClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea is a drug-like molecule.
| MolName | 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea |
| MolecularFormula | C15H21N4OClS |
| Smiles | S=C(NCCCN1CCOCC1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H21ClN4OS/c16-14-4-2-13(3-5-14)12-18-19-15(22)17-6-1-7-20-8-10-21-11-9-20/h2-5,12H,1,6-11H2,(H2,17,19,22) |
| InChIK | ODGWOFRZGBUBRW-UHFFFAOYSA-N |
| TotalMolweight | 340.878 |
| Molweight | 340.878 |
| MonoisotopicMass | 340.112458 |
| CLogP | 2.6127 |
| CLogS | -3.31 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 272.19 |
| Relative PSA | 0.27914 |
| PolarSurfaceArea | 80.98 |
| Druglikeness | 4.3045 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.77273 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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