SMILES:
COc1nc2ccccc2cc1NC(=O)N1CCN(c2ccccc2Cl)CC1Molecular Processing
Molecular formula
C21H21ClN4O2
Molecular weight
396.88
Exact mass
396.1353
XLogP
4.25
TPSA
57.7
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
112.55
Supplementary Information
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