이름: compound
SMILES:
Cl.N#CC1(c2ccc(OC(F)F)c(OC3CCCC3)c2)CCNCC1Molecular Processing
Molecular formula
C18H23ClF2N2O2
Molecular weight
372.84
Exact mass
372.1416
XLogP
4.18
TPSA
54.28
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.611
Molar refractivity
92.6
Supplementary Information
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