Name: {Benzyl[(1R,2R)-2-(1-ethoxyethenyl)-2-hydroxycyclohexyl]amino}acetonitrile
SMILES:
C=C(OCC)[C@@]1(O)CCCC[C@H]1N(CC#N)Cc1ccccc1Molecular Processing
Molecular formula
C19H26N2O2
Molecular weight
314.43
Exact mass
314.1994
XLogP
3.24
TPSA
56.49
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
90.44
Supplementary Information
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