SMILES:
N#CC1(c2ccc(N)cn2)CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C14H17N3O2
Molecular weight
259.31
Exact mass
259.1321
XLogP
1.74
TPSA
81.16
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
69.04
Supplementary Information
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