SMILES:
COc1nnc(Cl)cc1-c1nc2cccc(C)c2[nH]1Molecular Processing
Molecular formula
C13H11ClN4O
Molecular weight
274.71
Exact mass
274.0621
XLogP
2.99
TPSA
63.69
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
73.42
Supplementary Information
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