SMILES:
C=C(CC)c1cccc(CN(C)CC=CC#CC(C)(C)C)c1Molecular Processing
Molecular formula
C21H29N
Molecular weight
295.47
Exact mass
295.23
XLogP
5.15
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
98.47
Supplementary Information
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