SMILES:
CCc1nn2c(-c3ccc(OC)cc3Cl)cccc2c1NMolecular Processing
Molecular formula
C16H16ClN3O
Molecular weight
301.78
Exact mass
301.0982
XLogP
3.81
TPSA
52.55
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
85.98
Supplementary Information
Details werden geladen…
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