SMILES:
Clc1ccc(CNC2=NC3CCCc4cccc(c43)N2)cc1Molecular Processing
Molecular formula
C18H18ClN3
Molecular weight
311.82
Exact mass
311.1189
XLogP
4.29
TPSA
36.42
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
91.47
Supplementary Information
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