CC1(C)CC1C(=O)N/C(=C\CCCCBr)C(=O)O
Name: (+) Z-7-bromo-2-(2,2-dimethylcyclopropanecarboxamido)-2-heptenoic acid
SMILES: CC1(C)CC1C(=O)N/C(=C\CCCCBr)C(=O)O

Molecular Processing

Molecular formula
C13H20BrNO3
Molecular weight
318.21
Exact mass
317.0627
XLogP
2.68
TPSA
66.4
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
18
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
73.39

Supplementary Information

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