SMILES:
O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2ccccc2Cl)CC1Molecular Processing
Molecular formula
C21H23ClN4O4
Molecular weight
430.89
Exact mass
430.1408
XLogP
3.05
TPSA
79.16
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
115.7
Supplementary Information
Details werden geladen…
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