Nom: 1-Benzo[1,3]dioxol-5-yl-cyclopropanecarboxylic acid (5-bromo-pyridin-2-yl)-amide
SMILES:
O=C(Nc1ccc(Br)cn1)C1(c2ccc3c(c2)OCO3)CC1Molecular Processing
Molecular formula
C16H13BrN2O3
Molecular weight
361.2
Exact mass
360.011
XLogP
3.24
TPSA
60.45
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
84.04
Supplementary Information
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