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Chemical ID: 6497570
Chemical ID:
6497570
Name [?]:
5-methyl-6-thia-2-azabicyclo[5.4.0]undeca-4,8,10,12-tetraen-3-one
SMILES [?]:
CC1=CC(=O)Nc2ccccc2S1
InChi [?]:
InChI=1/C10H9NOS/c1-7-6-10(12)11-8-4-2-3-5-9(8)13-7/h2-6H,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,9,10,8,11,3,2,7,12,4,6,5,13/rA:13nCCCCONCCCCCCS/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s2s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NOS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.16131 |
Area: | 343.812 |
Solvation: | -1.43399 |
Coulombic: | -22.3821 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 191.251 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.68 |
LogP (Chemaxon): | 1.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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