이름: 2-n-butyl-3-bromo-5,6-methylenedioxyindene
SMILES:
CCCCC1=C(Br)c2cc3c(cc2C1)OCO3Molecular Processing
Molecular formula
C14H15BrO2
Molecular weight
295.18
Exact mass
294.0255
XLogP
4.27
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
71.64
Supplementary Information
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