SMILES:
CC1(C2CCCC2)Cc2cc(OCCCC(=O)n3ccnc3)c(Cl)c(Cl)c2C1=OMolecular Processing
Molecular formula
C22H24Cl2N2O3
Molecular weight
435.35
Exact mass
434.1164
XLogP
5.62
TPSA
61.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
112.14
Supplementary Information
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