SMILES:
COCC#CC1(OC)CCC(c2ccccc2)(N(C)C)CC1Molecular Processing
Molecular formula
C19H27NO2
Molecular weight
301.43
Exact mass
301.2042
XLogP
3.05
TPSA
21.7
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
89.67
Supplementary Information
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