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Chemical ID: 5115164
Chemical ID:
5115164
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(s2)C(=O)NCC3
InChi [?]:
InChI=1/C11H9NOS/c13-11-10-8(5-6-12-11)7-3-1-2-4-9(7)14-10/h1-4H,5-6H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,13,5,7,4,8,10,12,11,9/rA:14nCCCCCCCCSCONCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s10;s12;s7s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NOS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.99684 |
Area: | 349.818 |
Solvation: | -1.7486 |
Coulombic: | -23.2683 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 203.261 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.55 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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