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Chemical ID: 7656579
Chemical ID:
7656579
Name [?]:
None
SMILES [?]:
COC(=O)Cc1nc(cs1)c2ccccc2
InChi [?]:
InChI=1/C12H11NO2S/c1-15-12(14)7-11-13-10(8-16-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,5,9,11,8,6,3,7,4,2,10/E:(3,4)(5,6)/rA:16nCOCOCCNCCSCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO2S |
All Atoms: | 27 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.93252 |
Area: | 421.074 |
Solvation: | -2.59432 |
Coulombic: | -24.1491 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.24 |
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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