SMILES:
Clc1ccc(-c2nn(C3CCOCC3)c3c2CCNCC3)cc1Molecular Processing
Molecular formula
C18H22ClN3O
Molecular weight
331.85
Exact mass
331.1451
XLogP
3.24
TPSA
39.08
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
92.04
Supplementary Information
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