NC(=O)C1(c2ccc(Br)cc2)CCC1
Name: 1-(4-bromophenyl)cyclobutanecarboxylic acid amide
SMILES: NC(=O)C1(c2ccc(Br)cc2)CCC1

Molecular Processing

Molecular formula
C11H12BrNO
Molecular weight
254.13
Exact mass
253.0102
XLogP
2.36
TPSA
43.09
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
58.87

Supplementary Information

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