SMILES:
CC1(C)OCC(COc2ccc(N)cc2N)O1Molecular Processing
Molecular formula
C12H18N2O3
Molecular weight
238.29
Exact mass
238.1317
XLogP
1.38
TPSA
79.73
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
65.67
Supplementary Information
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