이름: ester
SMILES:
COC(=O)C(Cc1ccc(-c2ccccc2Oc2ccccc2)cc1)NC(=O)c1cc(Cl)ccc1N1CC(C)CC(C)C1Molecular Processing
Molecular formula
C36H37ClN2O4
Molecular weight
597.15
Exact mass
596.2442
XLogP
7.8
TPSA
67.87
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
43
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
171.98
Supplementary Information
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