SMILES:
Cc1ccc2nc(-c3cc4c(cc3Cl)OCO4)c(NC3CCCCC3)n2c1Molecular Processing
Molecular formula
C21H22ClN3O2
Molecular weight
383.88
Exact mass
383.1401
XLogP
5.44
TPSA
47.79
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
106.99
Supplementary Information
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