Название: bicyclononene
SMILES:
CC(=O)N1CC2CC(c3ccc(OCCOc4cc(F)ccc4Cl)cc3)=C(C(=O)O)C(C1)N2C(=O)OC(C)(C)C(Cl)(Cl)ClMolecular Processing
Molecular formula
C29H29Cl4FN2O7
Molecular weight
678.37
Exact mass
676.0713
XLogP
6.37
TPSA
105.61
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
43
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
160.53
Supplementary Information
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