SMILES:
CCCCc1nc2cccc(CCl)c2n1Cc1ccc(-c2ccccc2C#N)cc1Molecular Processing
Molecular formula
C26H24ClN3
Molecular weight
413.95
Exact mass
413.1659
XLogP
6.7
TPSA
41.61
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
123.6
Supplementary Information
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