SMILES:
C=CCNCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1Molecular Processing
Molecular formula
C28H31N5
Molecular weight
437.59
Exact mass
437.2579
XLogP
5.31
TPSA
56.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
133.6
Supplementary Information
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