이름: 3,5-dimethyl-4-(2-pyrrolidin-1-yl-ethoxy)-benzaldehyde
SMILES:
Cc1cc(C=O)cc(C)c1OCCN1CCCC1Molecular Processing
Molecular formula
C15H21NO2
Molecular weight
247.34
Exact mass
247.1572
XLogP
2.59
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
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
0.533
Molar refractivity
72.47
Supplementary Information
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