SMILES:
COc1cc(C(C)C)c(Oc2cnc(NC(=O)CCl)nc2N)cc1IMolecular Processing
Molecular formula
C16H18ClIN4O3
Molecular weight
476.7
Exact mass
476.0112
XLogP
3.77
TPSA
99.36
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
105.67
Supplementary Information
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