이름: 2-chloro-6,7-dihydro-9-bromopyrido[3,2-b]thieno[2,3-d]oxepine
SMILES:
Clc1ccc2c(n1)-c1sc(Br)cc1CCO2Molecular Processing
Molecular formula
C11H7BrClNOS
Molecular weight
316.61
Exact mass
314.912
XLogP
4.16
TPSA
22.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
69.46
Supplementary Information
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