COC(=O)CCCC=Cc1ccc(-c2nocc2C(=O)O)cc1
SMILES: COC(=O)CCCC=Cc1ccc(-c2nocc2C(=O)O)cc1

Molecular Processing

Molecular formula
C17H17NO5
Molecular weight
315.33
Exact mass
315.1107
XLogP
3.4
TPSA
89.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
23
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
0.235
Molar refractivity
83.8

Supplementary Information

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