SMILES:
NCC(O)CCc1ccccc1Molecular Processing
Molecular formula
C10H15NO
Molecular weight
165.24
Exact mass
165.1154
XLogP
0.94
TPSA
46.25
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
49.82
Supplementary Information
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