SMILES:
COC(=O)c1ccc(Cc2c(C)nc(N)nc2Cl)c(OC)c1Molecular Processing
Molecular formula
C15H16ClN3O3
Molecular weight
321.76
Exact mass
321.088
XLogP
2.41
TPSA
87.33
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
83.33
Supplementary Information
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