이름: 3-benzylpyrrolylmethyl alcohol
SMILES:
OCc1[nH]ccc1Cc1ccccc1Molecular Processing
Molecular formula
C12H13NO
Molecular weight
187.24
Exact mass
187.0997
XLogP
2.1
TPSA
36.02
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
55.96
Supplementary Information
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