Name: [(1-chloro-4-hydroxy-7-methoxy-isoquinoline-3-carbonyl)-amino]-acetic acid
SMILES:
COc1ccc2c(O)c(C(=O)NCC(=O)O)nc(Cl)c2c1Molecular Processing
Molecular formula
C13H11ClN2O5
Molecular weight
310.69
Exact mass
310.0356
XLogP
1.42
TPSA
108.75
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
74.94
Supplementary Information
Details werden geladen…
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