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Chemical ID: 4879227
Chemical ID:
4879227
Name [?]:
5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-1-amine
SMILES [?]:
c1ccc(cc1)CSc2nnc(o2)CCCCCN
InChi [?]:
InChI=1/C14H19N3OS/c15-10-6-2-5-9-13-16-17-14(18-13)19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,15H2
InChi Info:
AuxInfo=1/0/N:1,16,2,6,15,17,3,5,14,18,7,4,12,9,19,11,10,13,8/E:(3,4)(7,8)/rA:19nCCCCCCCSCNNCOCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;s9s12;s12;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19N3OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.177 |
Area: | 517.878 |
Solvation: | -1.76993 |
Coulombic: | -28.8952 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 277.386 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.5 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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