NC(=O)C1(c2ccc(Br)cc2)CC2(C1)OCCO2
名称: XXXIV
SMILES: NC(=O)C1(c2ccc(Br)cc2)CC2(C1)OCCO2

Molecular Processing

Molecular formula
C13H14BrNO3
Molecular weight
312.16
Exact mass
311.0157
XLogP
1.71
TPSA
61.55
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
68.88

Supplementary Information

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