이름: 1-allyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-carboxylic acid
SMILES:
C=CCn1c(C)c(C)c2cc(C(=O)O)nc(N3CCc4ccccc4C3)c21Molecular Processing
Molecular formula
C22H23N3O2
Molecular weight
361.45
Exact mass
361.179
XLogP
4.1
TPSA
58.36
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
107.56
Supplementary Information
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