Name: 7-chloro-1,2,3,5-tetrahydro-1-nitroso-4,1-benzoxazepine
SMILES:
O=NN1CCOCc2cc(Cl)ccc21Molecular Processing
Molecular formula
C9H9ClN2O2
Molecular weight
212.64
Exact mass
212.0353
XLogP
2.36
TPSA
41.9
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
54.25
Supplementary Information
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