SMILES:
COC(=O)/C=C/c1ccc2c(c1)C(=O)NC1(CCNCC1)O2Molecular Processing
Molecular formula
C16H18N2O4
Molecular weight
302.33
Exact mass
302.1267
XLogP
1.07
TPSA
76.66
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
80.42
Supplementary Information
Récupération des détails…
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