SMILES:
N#Cc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1Molecular Processing
Molecular formula
C21H20N4
Molecular weight
328.42
Exact mass
328.1688
XLogP
3.62
TPSA
64.5
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
98.06
Supplementary Information
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