SMILES:
COC(=O)c1cc2nc(Nc3c(C)cccc3Cl)[nH]c2c2c1OC(C)(C)C2Molecular Processing
Molecular formula
C20H20ClN3O3
Molecular weight
385.85
Exact mass
385.1193
XLogP
4.77
TPSA
76.24
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
105.32
Supplementary Information
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