SMILES:
O=C1c2c(Cl)cccc2-n2cnc(C(=O)n3ccnc3)c2C2CCCN12Molecular Processing
Molecular formula
C18H14ClN5O2
Molecular weight
367.8
Exact mass
367.0836
XLogP
2.7
TPSA
73.02
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
26
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
93.54
Supplementary Information
Récupération des détails…
Impliqué dans 7 réactions→