이름: amine
SMILES:
Nc1ccc(Oc2ccnc3cc(-c4cnc(=O)n(CCN5CCOCC5)c4)sc23)c(F)c1Molecular Processing
Molecular formula
C23H22FN5O3S
Molecular weight
467.53
Exact mass
467.1427
XLogP
3.37
TPSA
95.5
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
125.26
Supplementary Information
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