SMILES:
O=C1CC(c2cc(Br)ccc2OC2CCNCC2)C2(C(=O)Nc3cc(Cl)ccc32)C(c2cccc(Cl)c2)N1Molecular Processing
Molecular formula
C29H26BrCl2N3O3
Molecular weight
615.36
Exact mass
613.0535
XLogP
6.12
TPSA
79.46
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
38
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
152.12
Supplementary Information
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