Chemical ID: 6313442

c1cc(sc1)C(=O)C=C2C(=O)NCCN2
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

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Descriptor Annotations

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