MolName : [(Z)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]thiourea |
MolecularFormula : C10H10N3OFS |
Smiles : NC(N/N=C1\c(cc(cc2)F)c2OCC1)=S |
InChI : InChI=1S/C10H10FN3OS/c11-6-1-2-9-7(5-6)8(3-4-15-9)13-14-10(12)16/h1-2,5H,3-4H2,(H3,12,14,16) |
InChIK : HXKWAELQRFLXMG-UHFFFAOYSA-N |
TotalMolweight : 239.273 |
Molweight : 239.273 |
MonoisotopicMass : 239.05286 |
CLogP : 1.7165 |
CLogS : -3.706 |
H Acceptors : 4 |
H Donors : 2 |
TotalSurfaceArea : 179.29 |
Relative PSA : 0.42523 |
PolarSurfaceArea : 91.73 |
Druglikeness : -0.36408 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : thio-amide/urea |
Shape Index : 0.5625 |
Fragments : 1 |
Non HAtoms : 16 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 1 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 4 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |