이름: compound
SMILES:
CCCCc1nc(Cl)c(C=O)n1Cc1ccc(C(C(=O)OC(C)(C)C)C2CCCC2)cc1Molecular Processing
Molecular formula
C26H35ClN2O3
Molecular weight
459.03
Exact mass
458.2336
XLogP
6.36
TPSA
61.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.577
Molar refractivity
127.32
Supplementary Information
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