Nombre: 1,3-Di-cyclopropylmethyl-8-nitro xanthine
SMILES:
O=c1c2[nH]c([N+](=O)[O-])nc2n(CC2CC2)c(=O)n1CC1CC1Molecular Processing
Molecular formula
C13H15N5O4
Molecular weight
305.29
Exact mass
305.1124
XLogP
0.61
TPSA
115.82
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
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
0.615
Molar refractivity
76.72
Supplementary Information
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