SMILES:
Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1C(C)CCOS(=O)(=O)c1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C30H31Cl2N3O6S
Molecular weight
632.57
Exact mass
631.1311
XLogP
8
TPSA
113.56
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
42
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
162.45
Supplementary Information
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