SMILES:
COC1(OCc2ccccc2)C=C2C(=CC1)CCN(CCO)C2C1(c2ccccc2Cl)CC1Molecular Processing
Molecular formula
C28H32ClNO3
Molecular weight
466.02
Exact mass
465.2071
XLogP
5.25
TPSA
41.93
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
131.18
Supplementary Information
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