SMILES:
CC(C)Nc1c(-c2ccc(Cl)cc2Cl)c(Cl)nc2c(C(=O)O)cnn12Molecular Processing
Molecular formula
C16H13Cl3N4O2
Molecular weight
399.67
Exact mass
398.0104
XLogP
4.88
TPSA
79.52
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
99.17
Supplementary Information
Obteniendo detalles…
Participa en 2 reacciones→