SMILES:
O=C1Nc2cccc(C3CCNCC3)c2C1=Cc1[nH]cc2c1CCOC2=OMolecular Processing
Molecular formula
C21H21N3O3
Molecular weight
363.42
Exact mass
363.1583
XLogP
2.69
TPSA
83.22
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
27
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
102.57
Supplementary Information
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