SMILES:
COc1ccc(C2=NN(c3ccc(OCCCCBr)cc3)C(=O)C3CC=CCC23)cc1OCMolecular Processing
Molecular formula
C26H29BrN2O4
Molecular weight
513.43
Exact mass
512.1311
XLogP
5.59
TPSA
60.36
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
133.89
Supplementary Information
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