Название: N,N-dipropylamidoisophthalic acid
SMILES:
CCCN(CCC)C(=O)c1cc(CC)cc(C(=O)O)c1Molecular Processing
Molecular formula
C16H23NO3
Molecular weight
277.36
Exact mass
277.1678
XLogP
3.21
TPSA
57.61
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
79.26
Supplementary Information
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