Chemical ID: 7702366

c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(cc3)F)S2)OCC(=O)O
Chemical ID:
7702366
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(cc3)F)S2)OCC(=O)O
InChi [?]:
InChI=1/C18H13FN2O4S/c19-12-5-7-13(8-6-12)20-18-21-17(24)15(26-18)9-11-3-1-2-4-14(11)25-10-16(22)23/h1-9H,10H2,(H,22,23)(H,20,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,18,15,19,7,23,5,17,14,4,8,24,9,12,20,13,11,25,26,10,22,21/E:(5,6)(7,8)(22,23)/rA:26nCCCCCCCCCONCNCCCCCCFSOCCOO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s4;s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13FN2O4S
All Atoms:39
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:8.8608
Area:572.167
Solvation:-5.44337
Coulombic:-66.1857
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.55
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue