名称: substrate
SMILES:
Cc1ccc(OCCO)cc1Molecular Processing
Molecular formula
C9H12O2
Molecular weight
152.19
Exact mass
152.0837
XLogP
1.37
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
43.76
Supplementary Information
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