SMILES:
COc1cc2c(cc1OCc1ccccc1)C(C1(c3ccccc3Cl)CC1)=NCC2Molecular Processing
Molecular formula
C26H24ClNO2
Molecular weight
417.94
Exact mass
417.1496
XLogP
6
TPSA
30.82
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
121.24
Supplementary Information
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