SMILES:
C=CCN1NC(C)=C2N=C(c3ccccc3Cl)c3cc(OC)c(F)cc3N=C21Molecular Processing
Molecular formula
C21H18ClFN4O
Molecular weight
396.85
Exact mass
396.1153
XLogP
4.61
TPSA
49.22
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
109.88
Supplementary Information
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