Nom: Intermediate 1
SMILES:
COC(=O)/C=C/c1ccc2c(c1)C(=O)CC1(CCNCC1)O2Molecular Processing
Molecular formula
C17H19NO4
Molecular weight
301.34
Exact mass
301.1314
XLogP
1.96
TPSA
64.63
H-bond donors
1
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
5
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
81.9
Supplementary Information
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