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Chemical ID: 5789740
Chemical ID:
5789740
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)Nc3ccccc3S2
InChi [?]:
InChI=1/C13H9NOS/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,12,2,13,6,11,3,14,5,10,4,15,7,9,8,16/rA:16nCCCCCCCONCCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s4s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9NOS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9795 |
Area: | 376.592 |
Solvation: | -1.43529 |
Coulombic: | -24.4377 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 227.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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