MolName : (NZ)-N-(2,3-dihydro-1-benzofuran-5-ylmethylidene)hydroxylamine |
MolecularFormula : C9H9NO2 |
Smiles : O/N=C\c(cc1)cc2c1OCC2 |
InChI : InChI=1S/C9H9NO2/c11-10-6-7-1-2-9-8(5-7)3-4-12-9/h1-2,5-6,11H,3-4H2 |
InChIK : KZPPLHLNEOMCIV-UHFFFAOYSA-N |
TotalMolweight : 163.175 |
Molweight : 163.175 |
MonoisotopicMass : 163.063329 |
CLogP : 2.4401 |
CLogS : -2.682 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 128.39 |
Relative PSA : 0.26957 |
PolarSurfaceArea : 41.82 |
Druglikeness : -1.5502 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 12 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 1 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 4 |
StereoCon : |