SMILES:
Cc1ccc(Nc2cnc(C3CC3)c(C)c2)c(C(=O)O)c1Molecular Processing
Molecular formula
C17H18N2O2
Molecular weight
282.34
Exact mass
282.1368
XLogP
4.02
TPSA
62.22
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
82.37
Supplementary Information
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