SMILES:
COC(=O)c1ccc2c(c1)C(=CCn1c(O)nc3ccccc31)c1ccccc1CO2Molecular Processing
Molecular formula
C25H20N2O4
Molecular weight
412.45
Exact mass
412.1423
XLogP
4.55
TPSA
73.58
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.12
Molar refractivity
117.03
Supplementary Information
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