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C16H17N | Cheminformatics

2-benzhydrylazetidine

Molecular Formula : C16H17N | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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

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