SMILES:
CCc1cccc(CNC2CC2)c1Molecular Processing
Molecular formula
C12H17N
Molecular weight
175.27
Exact mass
175.1361
XLogP
2.5
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
55.68
Supplementary Information
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