Name: compound
SMILES:
C=C1C(CO)C(O)CC1n1cnc2c(=O)[nH]c(N)nc21Molecular Processing
Molecular formula
C12H15N5O3
Molecular weight
277.28
Exact mass
277.1175
XLogP
-0.83
TPSA
130.05
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
71.94
Supplementary Information
Details werden geladen…
An 4 Reaktionen beteiligt→