SMILES:
CC1CCCC(NC(=O)c2cnc3ccccc3n2)C1CMolecular Processing
Molecular formula
C17H21N3O
Molecular weight
283.38
Exact mass
283.1685
XLogP
3.18
TPSA
54.88
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
82.97
Supplementary Information
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