SMILES:
C=C=Cn1c(C)c(C)c2ccnc(N3CCc4ccccc4C3)c21Molecular Processing
Molecular formula
C21H21N3
Molecular weight
315.42
Exact mass
315.1735
XLogP
4.47
TPSA
21.06
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
100.3
Supplementary Information
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