이름: 7-bromo-2-(2-chloroethyl)-2,3-dihydro-4-methyl-1,4-benzoxazepin-5(4H)-one
SMILES:
CN1CC(CCCl)Oc2ccc(Br)cc2C1=OMolecular Processing
Molecular formula
C12H13BrClNO2
Molecular weight
318.6
Exact mass
316.9818
XLogP
2.91
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
70.86
Supplementary Information
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