O=[N+]([O-])c1cnc2cccnc2c1NCC1(O)CCOCC1
SMILES: O=[N+]([O-])c1cnc2cccnc2c1NCC1(O)CCOCC1

Molecular Processing

Molecular formula
C14H16N4O4
Molecular weight
304.31
Exact mass
304.1172
XLogP
1.49
TPSA
110.41
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
79.68

Supplementary Information

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