SMILES:
Clc1ccnc2c1CC1(CN3CCC1CC3)O2Molecular Processing
Molecular formula
C13H15ClN2O
Molecular weight
250.73
Exact mass
250.0873
XLogP
2.13
TPSA
25.36
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
65.47
Supplementary Information
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