SMILES:
COc1cc(OC)c(-c2cncnc2)cc1/C=C/C(=O)c1ccc(C(=O)O)cc1Molecular Processing
Molecular formula
C22H18N2O5
Molecular weight
390.4
Exact mass
390.1216
XLogP
3.76
TPSA
98.61
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
3
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
107.34
Supplementary Information
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