SMILES:
CN1OC(COc2ccccc2)CC1(Cn1ccnc1)c1ccc2ccccc2c1Molecular Processing
Molecular formula
C25H25N3O2
Molecular weight
399.49
Exact mass
399.1947
XLogP
4.65
TPSA
39.52
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
117.04
Supplementary Information
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