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Chemical ID: 7698819
Chemical ID:
7698819
Name [?]:
None
SMILES [?]:
CC(C)CC(=O)Nc1cccc(c1)SC
InChi [?]:
InChI=1/C12H17NOS/c1-9(2)7-12(14)13-10-5-4-6-11(8-10)15-3/h4-6,8-9H,7H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,15,10,9,11,4,13,2,8,12,5,7,6,14/E:(1,2)/rA:15nCCCCCONCCCCCCSC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NOS |
All Atoms: | 32 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.379 |
Area: | 417.37 |
Solvation: | -2.05525 |
Coulombic: | -21.5493 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.35 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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