이름: compound
SMILES:
Cl.N#CCN1CCC(c2cccc3ccccc23)CC1Molecular Processing
Molecular formula
C17H19ClN2
Molecular weight
286.81
Exact mass
286.1237
XLogP
3.96
TPSA
27.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.353
Molar refractivity
85.22
Supplementary Information
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