SMILES:
O=C1Nc2cccc(C3CCNCC3)c2C1=Cc1[nH]cc(C(=O)O)c1CCOMolecular Processing
Molecular formula
C21H23N3O4
Molecular weight
381.43
Exact mass
381.1689
XLogP
2.21
TPSA
114.45
H-bond donors
5
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
106.33
Supplementary Information
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