SMILES:
C(#Cc1cccc2c3c([nH]c12)C1CCN(CC1)C3)c1ccncc1Molecular Processing
Molecular formula
C21H19N3
Molecular weight
313.4
Exact mass
313.1579
XLogP
3.66
TPSA
31.92
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
24
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
95.77
Supplementary Information
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