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Chemical ID: 7698805
Chemical ID:
7698805
Name [?]:
None
SMILES [?]:
CCC(CC)C(=O)Nc1cccc(c1)SC
InChi [?]:
InChI=1/C13H19NOS/c1-4-10(5-2)13(15)14-11-7-6-8-12(9-11)16-3/h6-10H,4-5H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,16,2,4,11,10,12,14,3,9,13,6,8,7,15/E:(1,2)(4,5)/rA:16nCCCCCCONCCCCCCSC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NOS |
All Atoms: | 35 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.14634 |
Area: | 438.8 |
Solvation: | -1.82366 |
Coulombic: | -22.4416 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.7 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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