CC1CCC(C(=O)OCC(=O)c2ccc3c(c2)COc2cc4c(cc2-3)CCC(Br)C4=O)N1C(=O)OC(C)(C)C
SMILES: CC1CCC(C(=O)OCC(=O)c2ccc3c(c2)COc2cc4c(cc2-3)CCC(Br)C4=O)N1C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C30H32BrNO7
Molecular weight
598.49
Exact mass
597.1362
XLogP
5.65
TPSA
99.21
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
39
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
147.42

Supplementary Information

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