SMILES:
Nc1nc(C#CC2CCCCC2)nc2c1ncn2C1OC(CO)C(O)C1OMolecular Processing
Molecular formula
C18H23N5O4
Molecular weight
373.41
Exact mass
373.175
XLogP
-0.05
TPSA
139.54
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
96.2
Supplementary Information
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