MolName : (NE)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluorochromen-4-ylidene]hydroxylamine |
MolecularFormula : C17H12NO4F |
Smiles : O/N=C1/c(cc(cc2)F)c2OC(c(cc2)cc3c2OCCO3)=C1 |
InChI : InChI=1S/C17H12FNO4/c18-11-2-4-14-12(8-11)13(19-20)9-16(23-14)10-1-3-15-17(7-10)22-6-5-21-15/h1-4,7-9,20H,5-6H2 |
InChIK : MWTSSSMHSQZXFU-UHFFFAOYSA-N |
TotalMolweight : 313.283 |
Molweight : 313.283 |
MonoisotopicMass : 313.075037 |
CLogP : 4.0738 |
CLogS : -4.615 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 223.92 |
Relative PSA : 0.24388 |
PolarSurfaceArea : 60.28 |
Druglikeness : -8.9602 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.56522 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 1 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |