SMILES:
COc1ccc2c(OCc3nnc4ccc(-c5ccc(-c6nc(C)no6)c(Cl)c5)nn34)ccnc2c1Molecular Processing
Molecular formula
C25H18ClN7O3
Molecular weight
499.92
Exact mass
499.116
XLogP
4.94
TPSA
113.35
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
36
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.12
Molar refractivity
131.88
Supplementary Information
Details werden geladen…
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