Chemical ID: 4342978

c1ccc2c(c1)NC3=C(C(S2)c4ccc(cc4)F)C(=O)OC3
Chemical ID:
4342978
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)NC3=C(C(S2)c4ccc(cc4)F)C(=O)OC3
InChi [?]:
InChI=1/C17H12FNO2S/c18-11-7-5-10(6-8-11)16-15-13(9-21-17(15)20)19-12-3-1-2-4-14(12)22-16/h1-8,16,19H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,17,14,16,22,12,15,5,8,4,9,10,19,18,7,20,21,11/E:(5,6)(7,8)/rA:22cCCCCCCNCCCSCCCCCCFCOOC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s4s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s8s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12FNO2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:7.87227
Area:456.211
Solvation:-3.533
Coulombic:-36.1039
Bond Count [?]
All:25
Single:17
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:313.347
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.62
LogP (Chemaxon):2.71

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