SMILES:
CC1(C)c2cc(OCc3ccncc3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21Molecular Processing
Molecular formula
C25H19N3O2
Molecular weight
393.45
Exact mass
393.1477
XLogP
4.88
TPSA
78.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
113.59
Supplementary Information
Details werden geladen…
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