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Chemical ID: 7656577
Chemical ID:
7656577
Name [?]:
None
SMILES [?]:
Cc1c(sc(n1)N2CCCC2=O)C(=O)O
InChi [?]:
InChI=1/C9H10N2O3S/c1-5-7(8(13)14)15-9(10-5)11-4-2-3-6(11)12/h2-4H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,9,10,8,2,11,3,13,5,6,7,12,14,15,4/E:(13,14)/rA:15nCCCSCNNCCCCOCOO/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;s9;s7s10;d11;s3;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.27632 |
Area: | 381.749 |
Solvation: | -3.26741 |
Coulombic: | -46.5824 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.28 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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