이름: 6-amino-β-carboline-4-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cncc2[nH]c3ccc(N)cc3c12Molecular Processing
Molecular formula
C14H13N3O2
Molecular weight
255.28
Exact mass
255.1008
XLogP
2.47
TPSA
81
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
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
0.143
Molar refractivity
73.97
Supplementary Information
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