SMILES:
O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2cnccn2)C1Molecular Processing
Molecular formula
C18H15ClN4O2
Molecular weight
354.8
Exact mass
354.0884
XLogP
3.41
TPSA
72.12
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
92.24
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→