Chemical ID: 7244442

c1cc(sc1)c2csc3c2c(=O)n(cn3)CC(=O)O
Chemical ID:
7244442
Name [?]:
2-[5-oxo-7-(2-thienyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]acetic acid
SMILES [?]:
c1cc(sc1)c2csc3c2c(=O)n(cn3)CC(=O)O
InChi [?]:
InChI=1/C12H8N2O3S2/c15-9(16)4-14-6-13-11-10(12(14)17)7(5-19-11)8-2-1-3-18-8/h1-3,5-6H,4H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,5,16,7,14,6,3,17,10,9,11,15,13,18,19,12,4,8/E:(15,16)/rA:19nCCCSCCCSCCCONCNCCOO/rB:s1;d2;s3;d1s4;s3;d6;s7;s8;s6d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8N2O3S2
All Atoms:27
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.41414
Area:440.07
Solvation:-3.58761
Coulombic:-47.9744
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:292.336
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.45
LogP (Chemaxon):1.6

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