SMILES:
CCCNCC1Cc2ccc(C3=NNC(=O)CC3)cc2C1Molecular Processing
Molecular formula
C17H23N3O
Molecular weight
285.39
Exact mass
285.1841
XLogP
2.02
TPSA
53.49
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
84.41
Supplementary Information
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