이름: Compound 23
SMILES:
NC(=O)c1ccnc2c(NC3CNCCC3c3ccc(F)c(Cl)c3)ncnc12Molecular Processing
Molecular formula
C19H18ClFN6O
Molecular weight
400.85
Exact mass
400.1215
XLogP
2.47
TPSA
105.82
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
104.9
Supplementary Information
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