이름: [(1-Chloro-4-hydroxy-isoquinoline-3-carbonyl)-amino]-acetic acid
SMILES:
O=C(O)CNC(=O)c1nc(Cl)c2ccccc2c1OMolecular Processing
Molecular formula
C12H9ClN2O4
Molecular weight
280.67
Exact mass
280.0251
XLogP
1.41
TPSA
99.52
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
68.39
Supplementary Information
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