SMILES:
Cc1ccnc2c1C(=NNC(=N)NO)CC(c1c(Cl)cccc1Cl)C2.ClMolecular Processing
Molecular formula
C17H18Cl3N5O
Molecular weight
414.72
Exact mass
413.0577
XLogP
4.06
TPSA
93.39
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.235
Molar refractivity
106.07
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→