Chemical ID: 7244653

c1cc(ccc1c2csc3c2c(=O)n(cn3)CC(=O)O)F
Chemical ID:
7244653
Name [?]:
2-[7-(4-fluorophenyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]acetic acid
SMILES [?]:
c1cc(ccc1c2csc3c2c(=O)n(cn3)CC(=O)O)F
InChi [?]:
InChI=1/C14H9FN2O3S/c15-9-3-1-8(2-4-9)10-6-21-13-12(10)14(20)17(7-16-13)5-11(18)19/h1-4,6-7H,5H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,17,8,15,6,3,7,18,11,10,12,21,16,14,19,20,13,9/E:(1,2)(3,4)(18,19)/rA:21nCCCCCCCCSCCCONCNCCOOF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9FN2O3S
All Atoms:30
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.24573
Area:452.023
Solvation:-4.05485
Coulombic:-52.0677
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:304.297
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.59
LogP (Chemaxon):2.33

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