C1CN(CCN1CCCCl)CC2=CC=C(C=C2)F.Cl.Cl
名称: 1-(3-chloropropyl)-4-[(4-fluorophenyl)methyl]piperazine;dihydrochloride
SMILES: C1CN(CCN1CCCCl)CC2=CC=C(C=C2)F.Cl.Cl

Molecular Processing

Molecular formula
C14H22Cl3FN2
Molecular weight
343.7
Exact mass
342.0833
XLogP
3.42
TPSA
6.48
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
3
Fraction Csp3
0.571
Molar refractivity
87.95

Supplementary Information

InChIKey: GXDXJGNJFPSOTG-UHFFFAOYSA-N
同義語
SCHEMBL10658465GXDXJGNJFPSOTG-UHFFFAOYSA-N1-(4-fluorobenzyl)-4-(3-chloropropyl) piperazine dihydrochloride
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