SMILES:
CC1(N)CCCN(c2c(F)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.ClMolecular Processing
Molecular formula
C19H22ClFN6O
Molecular weight
404.88
Exact mass
404.1528
XLogP
3.09
TPSA
99.93
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.316
Molar refractivity
109.53
Supplementary Information
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