الاسم: (±)-3-[[(3,4-dihydro-2H-1-benzopyran-2-yl)methyl](phenylmethyl)amino]propanenitrile
SMILES:
N#CCCN(Cc1ccccc1)CC1CCc2ccccc2O1Molecular Processing
Molecular formula
C20H22N2O
Molecular weight
306.41
Exact mass
306.1732
XLogP
3.8
TPSA
36.26
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
91.13
Supplementary Information
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