SMILES:
N#Cc1ncn2c1C1CCN1C(=O)c1c-2ccc(F)c1ClMolecular Processing
Molecular formula
C14H8ClFN4O
Molecular weight
302.7
Exact mass
302.0371
XLogP
2.44
TPSA
61.92
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
21
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
71.64
Supplementary Information
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