SMILES:
Cc1cccc2cc(COc3ncnc4[nH]cnc34)c(-c3ccccc3Cl)nc12Molecular Processing
Molecular formula
C22H16ClN5O
Molecular weight
401.86
Exact mass
401.1043
XLogP
5.11
TPSA
76.58
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
112.94
Supplementary Information
Details werden geladen…
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