SMILES:
CNCCC(c1ccccc1)c1ccc2[nH]ccc2c1.ClMolecular Processing
Molecular formula
C18H21ClN2
Molecular weight
300.83
Exact mass
300.1393
XLogP
4.33
TPSA
27.82
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.222
Molar refractivity
92.38
Supplementary Information
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