Chemical ID: 4549689

C=CC1=C(N2C(C(C2=O)N)SC1)C(=O)O
Chemical ID:
4549689
Name [?]:
7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES [?]:
C=CC1=C(N2C(C(C2=O)N)SC1)C(=O)O
InChi [?]:
InChI=1/C9H10N2O3S/c1-2-4-3-15-8-5(10)7(12)11(8)6(4)9(13)14/h2,5,8H,1,3,10H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,12,3,7,4,8,6,13,10,5,9,14,15,11/E:(13,14)/rA:15cCCCCNCCCONSCCOO/rB:d1;s2;d3;s4;s5;s6;s5s7;d8;s7;s6;s3s11;s4;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2O3S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:5.80046
Area:374.607
Solvation:-3.56472
Coulombic:-57.2431
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.253
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:-0.31
LogP (Chemaxon):-3.05

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