이름: benzene water
SMILES:
O.c1ccccc1Molecular Processing
Molecular formula
C6H8O
Molecular weight
96.13
Exact mass
96.0575
XLogP
0.86
TPSA
31.5
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
7
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
2
Fraction Csp3
0
Molar refractivity
30.06
Supplementary Information
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