이름: 2-bromo-3-cyclopentyl-1-methyl-1H-indole-carboxylic acid methyl ester
SMILES:
COC(=O)C1(Br)C(C2CCCC2)c2ccccc2N1CMolecular Processing
Molecular formula
C16H20BrNO2
Molecular weight
338.25
Exact mass
337.0677
XLogP
3.67
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
83.22
Supplementary Information
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