SMILES:
NCCc1c(CCCc2ccc(C(=O)O)cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C33H31ClN2O2
Molecular weight
523.08
Exact mass
522.2074
XLogP
7.31
TPSA
68.25
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
38
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
155.26
Supplementary Information
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