Chemical ID: 5116067

Cc1ccc2c3c1C(C(C3CCS2)C(=O)N)O
Chemical ID:
5116067
Name [?]:
None
SMILES [?]:
Cc1ccc2c3c1C(C(C3CCS2)C(=O)N)O
InChi [?]:
InChI=1/C13H15NO2S/c1-6-2-3-8-10-7(4-5-17-8)11(13(14)16)12(15)9(6)10/h2-3,7,11-12,15H,4-5H2,1H3,(H2,14,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,12,2,10,5,7,6,9,8,14,16,17,15,13/rA:17cCCCCCCCCCCCCSCONO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6s9;s10;s11;s5s12;s9;d14;s14;s8;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:3
ZAP Information [?]
Total:6.58774
Area:393.918
Solvation:-3.2602
Coulombic:-42.1762
Bond Count [?]
All:19
Single:15
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:249.33
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.4
LogP (Chemaxon):1.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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