SMILES:
C#CCN1CCN(c2c(Cl)cc3c(=O)c(C(=O)O)cn4c3c2CCC4C)CC1Molecular Processing
Molecular formula
C21H22ClN3O3
Molecular weight
399.88
Exact mass
399.135
XLogP
2.62
TPSA
65.78
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
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
0.429
Molar refractivity
110.7
Supplementary Information
Details werden geladen…
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