[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiourea
Molecular Formula : C10H11N3O2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiourea is a drug-like molecule.
MolName : [(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiourea |
MolecularFormula : C10H11N3O2S |
Smiles : NC(N/N=C\c(cc1)cc2c1OCCO2)=S |
InChI : InChI=1S/C10H11N3O2S/c11-10(16)13-12-6-7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5-6H,3-4H2,(H3,11,13,16) |
InChIK : RSYHOHHBSJILHY-UHFFFAOYSA-N |
TotalMolweight : 237.282 |
Molweight : 237.282 |
MonoisotopicMass : 237.057197 |
CLogP : 1.5108 |
CLogS : -3.08 |
H Acceptors : 5 |
H Donors : 2 |
TotalSurfaceArea : 184.73 |
Relative PSA : 0.46684 |
PolarSurfaceArea : 100.96 |
Druglikeness : -5.08 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde; thio-amide/urea |
Shape Index : 0.6875 |
Fragments : 1 |
Non HAtoms : 16 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 2 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 5 |
StereoCon : |