SMILES:
CN1CCc2c(c3cc(Cl)ccc3n2CCn2cccc2)C1Molecular Processing
Molecular formula
C18H20ClN3
Molecular weight
313.83
Exact mass
313.1346
XLogP
3.78
TPSA
13.1
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
91.42
Supplementary Information
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