이름: 2-[4-(2-bromoethoxy)-phenyl]-1-ethyl-6-methoxy-1H-indole-3-carbonitrile
SMILES:
CCn1c(-c2ccc(OCCBr)cc2)c(C#N)c2ccc(OC)cc21Molecular Processing
Molecular formula
C20H19BrN2O2
Molecular weight
399.29
Exact mass
398.063
XLogP
4.98
TPSA
47.18
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
103.6
Supplementary Information
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