MolName : (NZ)-N-(8-chloro-2,3-dihydrochromen-4-ylidene)hydroxylamine |
MolecularFormula : C9H8NO2Cl |
Smiles : O/N=C1\c2cccc(Cl)c2OCC1 |
InChI : InChI=1S/C9H8ClNO2/c10-7-3-1-2-6-8(11-12)4-5-13-9(6)7/h1-3,12H,4-5H2 |
InChIK : FNEVNPSAIGUKCW-UHFFFAOYSA-N |
TotalMolweight : 197.621 |
Molweight : 197.621 |
MonoisotopicMass : 197.024356 |
CLogP : 2.904 |
CLogS : -3.545 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 142.02 |
Relative PSA : 0.2437 |
PolarSurfaceArea : 41.82 |
Druglikeness : -1.3279 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.53846 |
Fragments : 1 |
Non HAtoms : 13 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 4 |
StereoCon : |