SMILES:
COc1ccc2c(c1)C(=O)c1c-2c(N2CCNCC2)nc2ccccc12Molecular Processing
Molecular formula
C21H19N3O2
Molecular weight
345.4
Exact mass
345.1477
XLogP
2.86
TPSA
54.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
102.25
Supplementary Information
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