SMILES:
COc1cc(C2C(C(=O)c3ccccc3)=C(N)Oc3cc(N(C)C)ccc32)cc2c1OCO2Molecular Processing
Molecular formula
C26H24N2O5
Molecular weight
444.49
Exact mass
444.1685
XLogP
4.07
TPSA
83.25
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.192
Molar refractivity
124.34
Supplementary Information
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