SMILES:
O=C1OC(c2ccc(Cl)cc2)C(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1Molecular Processing
Molecular formula
C18H12Cl3N3O3
Molecular weight
424.67
Exact mass
422.9944
XLogP
5.04
TPSA
66.24
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
99.92
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→