N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-benzimidazol-2-amine
Molecular Formula : C16H14N4O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-benzimidazol-2-amine is a drug-like molecule.
MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-benzimidazol-2-amine |
MolecularFormula : C16H14N4O2 |
Smiles : C1Oc(ccc(/C=N\Nc2nc(cccc3)c3[nH]2)c2)c2OC1 |
InChI : InChI=1S/C16H14N4O2/c1-2-4-13-12(3-1)18-16(19-13)20-17-10-11-5-6-14-15(9-11)22-8-7-21-14/h1-6,9-10H,7-8H2,(H2,18,19,20) |
InChIK : JJUQDPFYFUJRRH-UHFFFAOYSA-N |
TotalMolweight : 294.313 |
Molweight : 294.313 |
MonoisotopicMass : 294.111676 |
CLogP : 4.7888 |
CLogS : -3.813 |
H Acceptors : 6 |
H Donors : 2 |
TotalSurfaceArea : 226.19 |
Relative PSA : 0.30032 |
PolarSurfaceArea : 71.53 |
Druglikeness : -4.2764 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.63636 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 3 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 4 |
Aromatic Nitrogens : 2 |
BasicNitrogens : 1 |
StereoCon : |