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Chemical ID: 7676300
Chemical ID:
7676300
Name [?]:
None
SMILES [?]:
Cc1c(sc(n1)NC2CC2)C(=O)C
InChi [?]:
InChI=1/C9H12N2OS/c1-5-8(6(2)12)13-9(10-5)11-7-3-4-7/h7H,3-4H2,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,13,9,10,2,11,8,3,5,6,7,12,4/E:(3,4)/rA:13nCCCSCNNCCCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;s8s9;s3;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2OS |
All Atoms: | 25 |
Heavy Atoms: | 13 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.56738 |
Area: | 372.823 |
Solvation: | -1.7532 |
Coulombic: | -24.619 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.76 |
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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