MolName : N-[(Z)-2-pyridin-3-yloxyethylideneamino]-4,5-dihydro-1H-imidazol-2-amine |
MolecularFormula : C10H13N5O |
Smiles : C(/C=N\NC1=NCCN1)Oc1cnccc1 |
InChI : InChI=1S/C10H13N5O/c1-2-9(8-11-3-1)16-7-6-14-15-10-12-4-5-13-10/h1-3,6,8H,4-5,7H2,(H2,12,13,15) |
InChIK : FWYYUMXDKLVOTM-UHFFFAOYSA-N |
TotalMolweight : 219.247 |
Molweight : 219.247 |
MonoisotopicMass : 219.11201 |
CLogP : -0.3231 |
CLogS : -1.839 |
H Acceptors : 6 |
H Donors : 2 |
TotalSurfaceArea : 180.45 |
Relative PSA : 0.3708 |
PolarSurfaceArea : 70.9 |
Druglikeness : 5.0957 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.75 |
Fragments : 1 |
Non HAtoms : 16 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 4 |
Aromatic Nitrogens : 1 |
BasicNitrogens : 1 |
StereoCon : |