SMILES:
O=C(NCc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1NC1CCNCC1Molecular Processing
Molecular formula
C20H22N4O5
Molecular weight
398.42
Exact mass
398.159
XLogP
2.42
TPSA
114.76
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
106.35
Supplementary Information
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