SMILES:
C#CCC(NCCCN1C(=O)c2ccccc2C1=O)c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1Molecular Processing
Molecular formula
C29H24ClN5O3
Molecular weight
526
Exact mass
525.1568
XLogP
4.27
TPSA
96.33
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.172
Molar refractivity
147.1
Supplementary Information
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