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Chemical ID: 6224129
Chemical ID:
6224129
Name [?]:
None
SMILES [?]:
CC(=O)Nc1nc-2c(s1)COc3c2cccc3
InChi [?]:
InChI=1/C12H10N2O2S/c1-7(15)13-12-14-11-8-4-2-3-5-9(8)16-6-10(11)17-12/h2-5H,6H2,1H3,(H,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,10,2,13,12,8,7,5,4,6,3,11,9/rA:17nCCONCNCCSCOCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s8;s10;s11;s7s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10N2O2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.17435 |
Area: | 406.741 |
Solvation: | -2.99418 |
Coulombic: | -33.564 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 246.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.34 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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