CN1C2CCCC1(Nc1nc3c(C(=O)[O-])cccc3o1)CC(N)C2
SMILES: CN1C2CCCC1(Nc1nc3c(C(=O)[O-])cccc3o1)CC(N)C2

Molecular Processing

Molecular formula
C17H21N4O3-
Molecular weight
329.38
Exact mass
329.1619
XLogP
0.9
TPSA
107.45
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
-1
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
87.3

Supplementary Information

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