SMILES:
CC(C)(C)OC(=O)N1CC=C(c2ncc(Cl)cc2N)CC1Molecular Processing
Molecular formula
C15H20ClN3O2
Molecular weight
309.8
Exact mass
309.1244
XLogP
3.34
TPSA
68.45
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
84.06
Supplementary Information
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