4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide
Molecular Formula : C10H12N2O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide is a drug-like molecule.
MolName : 4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide |
MolecularFormula : C10H12N2O3 |
Smiles : N/C(/c1ccc(C2OCCO2)cc1)=N/O |
InChI : InChI=1S/C10H12N2O3/c11-9(12-13)7-1-3-8(4-2-7)10-14-5-6-15-10/h1-4,10,13H,5-6H2,(H2,11,12) |
InChIK : ALLSEOFWLPSQKK-UHFFFAOYSA-N |
TotalMolweight : 208.216 |
Molweight : 208.216 |
MonoisotopicMass : 208.084793 |
CLogP : 0.724 |
CLogS : -2.047 |
H Acceptors : 5 |
H Donors : 2 |
TotalSurfaceArea : 157.62 |
Relative PSA : 0.3799 |
PolarSurfaceArea : 77.07 |
Druglikeness : -7.112 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 15 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 2 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 6 |
Symmetricatoms : 4 |
StereoCon : |