Chemical ID: 4974523

C1CCCC(CC1)NS(=O)(=O)O
Chemical ID:
4974523
Name [?]:
sulfoaminocycloheptane
SMILES [?]:
C1CCCC(CC1)NS(=O)(=O)O
InChi [?]:
InChI=1/C7H15NO3S/c9-12(10,11)8-7-5-3-1-2-4-6-7/h7-8H,1-6H2,(H,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,7,3,6,4,5,8,10,11,12,9/E:(1,2)(3,4)(5,6)(9,10,11)/CRV:12.6/rA:12nCCCCCCCNSOOO/rB:s1;s2;s3;s4;s5;s1s6;s5;s8;d9;d9;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H15NO3S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.78016
Area:337.097
Solvation:-1.64727
Coulombic:-23.6841
Bond Count [?]
All:12
Single:10
Double:2
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:193.265
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.82
LogP (Chemaxon):0.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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