MolName : 2-benzhydrylazetidine |
MolecularFormula : C16H17N |
Smiles : C1C(C(c2ccccc2)c2ccccc2)NC1 |
InChI : InChI=1S/C16H17N/c1-3-7-13(8-4-1)16(15-11-12-17-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-/m0/s1 |
InChIK : IGFICGRXSOJUGH-HNNXBMFYSA-N |
TotalMolweight : 223.318 |
Molweight : 223.318 |
MonoisotopicMass : 223.136099 |
CLogP : 3.3547 |
CLogS : -3.247 |
H Acceptors : 1 |
H Donors : 1 |
TotalSurfaceArea : 183.5 |
Relative PSA : 0.062452 |
PolarSurfaceArea : 12.03 |
Druglikeness : 1.6623 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.52941 |
Fragments : 1 |
Non HAtoms : 17 |
NonCHAtoms : 1 |
Electronegative Atoms : 1 |
StereoCenters : 1 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 8 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : racemate |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |