(1Z)-1-[amino(morpholin-4-yl)methylidene]-3-phenylthiourea
Molecular Formula : C12H16N4OS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(1Z)-1-[amino(morpholin-4-yl)methylidene]-3-phenylthiourea is a drug-like molecule.
MolName : (1Z)-1-[amino(morpholin-4-yl)methylidene]-3-phenylthiourea |
MolecularFormula : C12H16N4OS |
Smiles : N/C(/N1CCOCC1)=N/C(Nc1ccccc1)=S |
InChI : InChI=1S/C12H16N4OS/c13-11(16-6-8-17-9-7-16)15-12(18)14-10-4-2-1-3-5-10/h1-5H,6-9H2,(H3,13,14,15,18) |
InChIK : PYSKTZUZFVTLGK-UHFFFAOYSA-N |
TotalMolweight : 264.352 |
Molweight : 264.352 |
MonoisotopicMass : 264.104481 |
CLogP : 1.2851 |
CLogS : -2.527 |
H Acceptors : 5 |
H Donors : 2 |
TotalSurfaceArea : 210.76 |
Relative PSA : 0.37858 |
PolarSurfaceArea : 94.97 |
Druglikeness : 1.4016 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : thio-amide/urea |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 18 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 1 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 6 |
Symmetricatoms : 4 |
BasicNitrogens : 1 |
StereoCon : |