이름: 3-(3-chloro-1-oxopropyl)7,11b,12,13-tetrahydro-5H-isoindolo[2,1-b][2]benzazepin-7-one
SMILES:
O=C(CCCl)c1ccc2c(c1)CN1C(=O)c3ccccc3C1CC2Molecular Processing
Molecular formula
C20H18ClNO2
Molecular weight
339.82
Exact mass
339.1026
XLogP
4.14
TPSA
37.38
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
93.49
Supplementary Information
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