Nom: 1-(7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-on-3-yl) -3-chloro propane
SMILES:
COc1cc2c(cc1OC)CC(=O)N(CCCCl)C=C2Molecular Processing
Molecular formula
C15H18ClNO3
Molecular weight
295.77
Exact mass
295.0975
XLogP
2.69
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
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
0.4
Molar refractivity
79.33
Supplementary Information
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