SMILES:
COc1cc2ncnc(C3CCN(C(=O)Cl)CC3)c2cc1OCMolecular Processing
Molecular formula
C16H18ClN3O3
Molecular weight
335.79
Exact mass
335.1037
XLogP
3.19
TPSA
64.55
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
87.44
Supplementary Information
Details werden geladen…
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