Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

Casrn : 1217609-30-7

MolName : (1R,2S)-2-(Aminomethyl)-N-(~2~H_5_)ethyl-1-phenylcyclopropane-1-carboxamide

MolecularFormula : C13H13N2OD5

Smiles : [2H]C([2H])([2H])C([2H])([2H])NC([C@]1([C@@H](CN)C1)c1ccccc1)=O

InChI : InChI=1S/C13H18N2O/c1-2-15-12(16)13(8-11(13)9-14)10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3,(H,15,16)/t11-,13-/m0/s1/i1D3,2D2

InChIK : UVKUMJGXPDEXSQ-UOIXGLMVSA-N

CanonicalSyTyLFy : efc2f4be0f82469b

TotalMolweight : 223.33

Molweight : 223.33

MonoisotopicMass : 223.172788

CLogP : 0.5709

CLogS : -2.358

H Acceptors : 3

H Donors : 2

TotalSurfaceArea : 173.94

Relative PSA : 0.22864

PolarSurfaceArea : 55.12

Druglikeness : 3.1866

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : unwanted atom

Shape Index : 0.47619

Molecula Flexibility : 0.6137

Molecular Complexity : 0.74185

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 8

Electronegative Atoms : 3

StereoCenters : 2

Rotatable Bond : 5

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 7

Symmetricatoms : 5

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon : this enantiomer