이름: 3-[(5-Hydroxymethyl-furan-2-ylmethyl)-amino]-phthalic acid dimethyl ester
SMILES:
COC(=O)c1cccc(NCc2ccc(CO)o2)c1C(=O)OCMolecular Processing
Molecular formula
C16H17NO6
Molecular weight
319.31
Exact mass
319.1056
XLogP
1.96
TPSA
98
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
23
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
0.25
Molar refractivity
81.08
Supplementary Information
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