SMILES:
Clc1nc(NCc2cc3cccc(Cl)c3nc2-c2ccccc2Cl)c2nc[nH]c2n1Molecular Processing
Molecular formula
C21H13Cl3N6
Molecular weight
455.74
Exact mass
454.0267
XLogP
6.14
TPSA
79.38
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
121.22
Supplementary Information
Details werden geladen…
An 4 Reaktionen beteiligt→