Chemical ID: 6844964

c1cc2c(cc1C[NH+]3CCN(CC3)S(=O)(=O)c4ccc(c(c4)Cl)F)OCO2
Chemical ID:
6844964
Name [?]:
1-(benzo[1,3]dioxol-5-ylmethyl)-4-(3-chloro-4-fluoro-phenyl)sulfonyl-2,3,5,6-tetrahydropyrazine
SMILES [?]:
c1cc2c(cc1C[NH+]3CCN(CC3)S(=O)(=O)c4ccc(c(c4)Cl)F)OCO2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H19ClFN2O4S+
All Atoms:46
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-23.9184
Area:581.93
Solvation:-38.4666
Coulombic:8.64822
Bond Count [?]
All:30
Single:22
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:413.872
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.0
LogP (Chemaxon):3.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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