SMILES:
Cc1cc(N2CCC3(CC2)OCCO3)c2c(C)c(C)n(-c3ccc(Cl)cc3Cl)c2n1Molecular Processing
Molecular formula
C23H25Cl2N3O2
Molecular weight
446.38
Exact mass
445.1324
XLogP
5.6
TPSA
39.52
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
121.38
Supplementary Information
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