Название: estramustine phosphate
SMILES:
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)OMolecular Processing
Molecular formula
C23H32Cl2NO6P
Molecular weight
520.39
Exact mass
519.1344
XLogP
5.3
TPSA
96.3
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.696
Molar refractivity
127.01
Supplementary Information
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