SMILES:
N#Cc1ccc(C(c2ncc[nH]2)C23CC4CC(CC(C4)C2O)C3)cc1Molecular Processing
Molecular formula
C21H23N3O
Molecular weight
333.44
Exact mass
333.1841
XLogP
3.6
TPSA
72.7
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
93.58
Supplementary Information
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