SMILES:
CCCCCCCCCCCCCCCC(=O)Oc1cc2c(cc1OC)CCN(C)C2C1(c2ccccc2Cl)CC1Molecular Processing
Molecular formula
C36H52ClNO3
Molecular weight
582.27
Exact mass
581.3636
XLogP
10
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
18
Heavy atoms
41
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.639
Molar refractivity
170.38
Supplementary Information
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