SMILES:
COC(=O)Nc1nc2cc(C(Cl)c3ccccc3)ccc2[nH]1Molecular Processing
Molecular formula
C16H14ClN3O2
Molecular weight
315.76
Exact mass
315.0775
XLogP
4.07
TPSA
67.01
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
86.26
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→