4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6,7-dihydroxychromen-2-one
Molecular Formula : C18H15NO6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6,7-dihydroxychromen-2-one is a drug-like molecule.
MolName : 4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6,7-dihydroxychromen-2-one |
MolecularFormula : C18H15NO6 |
Smiles : Oc(c(O)c1)cc(C(CNc(cc2)cc3c2OCCO3)=C2)c1OC2=O |
InChI : InChI=1S/C18H15NO6/c20-13-7-12-10(5-18(22)25-16(12)8-14(13)21)9-19-11-1-2-15-17(6-11)24-4-3-23-15/h1-2,5-8,19-21H,3-4,9H2 |
InChIK : ULZCBZPJOZCEIB-UHFFFAOYSA-N |
TotalMolweight : 341.318 |
Molweight : 341.318 |
MonoisotopicMass : 341.089939 |
CLogP : 1.5987 |
CLogS : -2.681 |
H Acceptors : 7 |
H Donors : 3 |
TotalSurfaceArea : 243.92 |
Relative PSA : 0.33085 |
PolarSurfaceArea : 97.25 |
Druglikeness : -7.9865 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : |
Shape Index : 0.56 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 3 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 8 |
Amines : 1 |
Aromatic Amines : 1 |
StereoCon : |