Name: methyl 2,3-diamino-5-(4-morpholinyl)benzoate
SMILES:
COC(=O)c1cc(N2CCOCC2)cc(N)c1NMolecular Processing
Molecular formula
C12H17N3O3
Molecular weight
251.29
Exact mass
251.127
XLogP
0.47
TPSA
90.81
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
69.64
Supplementary Information
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