Chemical ID: 4046552

c1ccc2c(c1)CCN(C2)S(=O)(=O)c3ccc(c(c3)F)F
Chemical ID:
4046552
Name [?]:
2-(3,4-difluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
SMILES [?]:
c1ccc2c(c1)CCN(C2)S(=O)(=O)c3ccc(c(c3)F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H13F2NO2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:7.32369
Area:452.013
Solvation:-3.97663
Coulombic:-14.7566
Bond Count [?]
All:23
Single:15
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:309.332
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.99
LogP (Chemaxon):3.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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