CN(CC(OCCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)OCc1ccccc1.Cl
名称: compound
SMILES: CN(CC(OCCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)OCc1ccccc1.Cl

Molecular Processing

Molecular formula
C30H35Cl3N2O4
Molecular weight
593.98
Exact mass
592.1662
XLogP
6.73
TPSA
62.24
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.367
Molar refractivity
157.67

Supplementary Information

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