SMILES:
O=C(Cl)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1Molecular Processing
Molecular formula
C29H28ClNO
Molecular weight
442
Exact mass
441.1859
XLogP
6.74
TPSA
20.31
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
131.99
Supplementary Information
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