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Chemical ID: 4877564
Chemical ID:
4877564
Name [?]:
2-methyl-1-[5-(o-tolylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-propan-1-amine
SMILES [?]:
Cc1ccccc1CSc2nnc(o2)C(C(C)C)N
InChi [?]:
InChI=1/C14H19N3OS/c1-9(2)12(15)13-16-17-14(18-13)19-8-11-7-5-4-6-10(11)3/h4-7,9,12H,8,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:17,18,1,4,5,3,6,8,16,2,7,15,13,10,19,12,11,14,9/E:(1,2)/rA:19cCCCCCCCCSCNNCOCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;s10s13;s13;s15;s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19N3OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8304 |
Area: | 487.025 |
Solvation: | -1.34527 |
Coulombic: | -29.785 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 277.386 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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