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Chemical ID: 7698947
Chemical ID:
7698947
Name [?]:
None
SMILES [?]:
CCCCC(CC)C(=O)Nc1cccc(c1)SC
InChi [?]:
InChI=1/C15H23NOS/c1-4-6-8-12(5-2)15(17)16-13-9-7-10-14(11-13)18-3/h7,9-12H,4-6,8H2,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,7,18,2,6,3,13,4,12,14,16,5,11,15,8,10,9,17/rA:18cCCCCCCCCONCCCCCCSC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NOS |
All Atoms: | 41 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.4244 |
Area: | 490.612 |
Solvation: | -1.84089 |
Coulombic: | -23.0445 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.84 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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