이름: 1-Cyclobutyl-6-ethoxy-2-(4-ethylaminophenyl)-1H-indole-3-carbonitrile
SMILES:
CCNc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1Molecular Processing
Molecular formula
C23H25N3O
Molecular weight
359.47
Exact mass
359.1998
XLogP
5.74
TPSA
49.98
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
110.31
Supplementary Information
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