SMILES:
COc1cc(Cc2cnc(N)nc2Cl)cc(OC)c1OCMolecular Processing
Molecular formula
C14H16ClN3O3
Molecular weight
309.75
Exact mass
309.088
XLogP
2.33
TPSA
79.49
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
21
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
0.286
Molar refractivity
80.36
Supplementary Information
Récupération des détails…
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