이름: 3-[(5-Hydroxymethyl-furan-2-ylmethyl)-amino]-phthalic acid
SMILES:
O=C(O)c1cccc(NCc2ccc(CO)o2)c1C(=O)OMolecular Processing
Molecular formula
C14H13NO6
Molecular weight
291.26
Exact mass
291.0743
XLogP
1.78
TPSA
120
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
21
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
0.143
Molar refractivity
72.32
Supplementary Information
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