Chemical ID: 4889569

c1ccc(cc1)CSc2nnc(o2)CCN
Chemical ID:
4889569
Name [?]:
2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILES [?]:
c1ccc(cc1)CSc2nnc(o2)CCN
InChi [?]:
InChI=1/C11H13N3OS/c12-7-6-10-13-14-11(15-10)16-8-9-4-2-1-3-5-9/h1-5H,6-8,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,15,7,4,12,9,16,11,10,13,8/E:(2,3)(4,5)/rA:16nCCCCCCCSCNNCOCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;s9s12;s12;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N3OS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.34071
Area:437.254
Solvation:-1.59063
Coulombic:-28.1529
Bond Count [?]
All:17
Single:12
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:235.307
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.43
LogP (Chemaxon):1.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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