이름: 3-[(Pyridin-3-ylmethyl)-amino]-phthalic acid
SMILES:
O=C(O)c1cccc(NCc2cccnc2)c1C(=O)OMolecular Processing
Molecular formula
C14H12N2O4
Molecular weight
272.26
Exact mass
272.0797
XLogP
2.09
TPSA
99.52
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
71.92
Supplementary Information
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