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Chemical ID: 6313442
Chemical ID:
6313442
Name [?]:
3-[2-oxo-2-(2-thienyl)ethylidene]piperazin-2-one
SMILES [?]:
c1cc(sc1)C(=O)C=C2C(=O)NCCN2
InChi [?]:
InChI=1/C10H10N2O2S/c13-8(9-2-1-5-15-9)6-7-10(14)12-4-3-11-7/h1-2,5-6,11H,3-4H2,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,5,8,9,6,3,10,15,12,7,11,4/rA:15nCCCSCCOCCCONCCN/rB:s1;d2;s3;d1s4;s3;d6;s6;w8;s9;d10;s10;s12;s13;s9s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2O2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.3057 |
Area: | 380.921 |
Solvation: | -3.21733 |
Coulombic: | -41.5066 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 222.265 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.1 |
LogP (Chemaxon): | -0.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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