이름: 2-[4-(2-Aminoethoxy)phenyl]-1-ethyl-6-methoxy-1H-indole-3-carbonitrile
SMILES:
CCn1c(-c2ccc(OCCN)cc2)c(C#N)c2ccc(OC)cc21Molecular Processing
Molecular formula
C20H21N3O2
Molecular weight
335.41
Exact mass
335.1634
XLogP
3.55
TPSA
73.2
H-bond donors
1
H-bond acceptors
4
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
98.86
Supplementary Information
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