SMILES:
Cl.NC(COCCCCc1ccccc1)COCc1ccc(-c2nc3ccccc3o2)cc1Molecular Processing
Molecular formula
C27H31ClN2O3
Molecular weight
467.01
Exact mass
466.2023
XLogP
5.8
TPSA
70.51
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.296
Molar refractivity
134.52
Supplementary Information
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