MolName : 3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine |
MolecularFormula : C12H15N3 |
Smiles : C(CNCC1)C1c1c[nH]c2ncccc12 |
InChI : InChI=1S/C12H15N3/c1-2-10-11(8-15-12(10)14-5-1)9-3-6-13-7-4-9/h1-2,5,8-9,13H,3-4,6-7H2,(H,14,15) |
InChIK : OUNKWLVIJBPPIF-UHFFFAOYSA-N |
TotalMolweight : 201.272 |
Molweight : 201.272 |
MonoisotopicMass : 201.126597 |
CLogP : 1.8103 |
CLogS : -2.933 |
H Acceptors : 3 |
H Donors : 2 |
TotalSurfaceArea : 161.69 |
Relative PSA : 0.22525 |
PolarSurfaceArea : 40.71 |
Druglikeness : 0.69439 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.6 |
Fragments : 1 |
Non HAtoms : 15 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 1 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 9 |
Sp3Atoms : 6 |
Symmetricatoms : 2 |
Amines : 1 |
AlkylAmines : 1 |
Aromatic Nitrogens : 2 |
BasicNitrogens : 1 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |