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Chemical ID: 6211925
Chemical ID:
6211925
Name [?]:
None
SMILES [?]:
C1=CC2=C(C=NC3=C(SC(=C1)N23)C=O)C=O
InChi [?]:
InChI=1/C11H6N2O2S/c14-5-7-4-12-11-9(6-15)16-10-3-1-2-8(7)13(10)11/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,11,5,15,13,4,3,8,10,7,6,12,16,14,9/rA:16nCCCCCNCCSCCNCOCO/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s1d10;s3s7s10;s8;d13;s4;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H6N2O2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.77737 |
Area: | 380.512 |
Solvation: | -3.73543 |
Coulombic: | -24.708 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 230.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.53 |
LogP (Chemaxon): | 0.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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