Cl.Cl.SCCCN1CCN(Cc2ccc(Cl)cc2)CC1
이름: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propane-1-thiol;dihydrochloride
SMILES: Cl.Cl.SCCCN1CCN(Cc2ccc(Cl)cc2)CC1

Molecular Processing

Molecular formula
C14H23Cl3N2S
Molecular weight
357.78
Exact mass
356.0648
XLogP
3.62
TPSA
6.48
H-bond donors
1
H-bond acceptors
3
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
96.14

Supplementary Information

InChIKey: RZABQBDRXJHLFP-UHFFFAOYSA-N
동의어
SCHEMBL10599078RZABQBDRXJHLFP-UHFFFAOYSA-N3-[4-(4-chlorobenzyl)piperazin- 1-yl]propanethiol dihydrochloride3-[4-(4-chlorobenzyl)piperazin--yl]propanethiol dihydrochloride3-[4-(4-chlorobenzyl)piperazin-1-yl]propanethiol dihydrochloride3-[4-(4-chlorobenzyl)piperazine-1-yl]propanethiol dihydrochloride
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