Chemical ID: 7459334

c1ccc(c(c1)CSc2nnc(o2)CC[NH3+])Cl
Chemical ID:
7459334
Name [?]:
2-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethylammonium
SMILES [?]:
c1ccc(c(c1)CSc2nnc(o2)CC[NH3+])Cl
InChi [?]:
InChI=1/C11H12ClN3OS/c12-9-4-2-1-3-8(9)7-17-11-15-14-10(16-11)5-6-13/h1-4H,5-7,13H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,15,7,5,4,12,9,17,16,11,10,13,8/rA:17nCCCCCCCSCNNCOCCN+Cl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;s9s12;s12;s14;s15;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13ClN3OS+
All Atoms:30
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-30.9517
Area:462.3
Solvation:-42.5092
Coulombic:29.2729
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.759
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.05
LogP (Chemaxon):1.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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