이름: 1J
SMILES:
Cc1c(N2C[C@@H]3[C@H](O)CC[C@@H]3C2=O)ccc(C#N)c1ClMolecular Processing
Molecular formula
C15H15ClN2O2
Molecular weight
290.75
Exact mass
290.0822
XLogP
2.25
TPSA
64.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
75.48
Supplementary Information
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