SMILES:
COCCOc1cc2ncnc(Cl)c2cc1OCCOCMolecular Processing
Molecular formula
C14H17ClN2O4
Molecular weight
312.75
Exact mass
312.0877
XLogP
2.33
TPSA
62.7
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
21
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
0.429
Molar refractivity
79.29
Supplementary Information
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