SMILES:
CCOP(=O)(C=Cc1cn(-c2ccccc2)nc1NC)OCCMolecular Processing
Molecular formula
C16H22N3O3P
Molecular weight
335.34
Exact mass
335.1399
XLogP
4.15
TPSA
65.38
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
93
Supplementary Information
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