SMILES:
COC(=O)c1cc2c(N3CCNCC3)cccc2[nH]1Molecular Processing
Molecular formula
C14H17N3O2
Molecular weight
259.31
Exact mass
259.1321
XLogP
1.36
TPSA
57.36
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
74.72
Supplementary Information
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