Chemical ID: 4784873

c1cc(ccc1n2ccc(=O)c(n2)c3ccnc(n3)S)F
Chemical ID:
4784873
Name [?]:
1-(4-fluorophenyl)-3-(2-sulfanylpyrimidin-4-yl)-pyridazin-4-one
SMILES [?]:
c1cc(ccc1n2ccc(=O)c(n2)c3ccnc(n3)S)F
InChi [?]:
InChI=1/C14H9FN4OS/c15-9-1-3-10(4-2-9)19-8-6-12(20)13(18-19)11-5-7-16-14(21)17-11/h1-8H,(H,16,17,21)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,15,9,16,8,3,6,14,10,12,18,21,17,19,13,7,11,20/E:(1,2)(3,4)/rA:21nCCCCCCNCCCOCNCCCNCNSF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s10;s7d12;s12;s14;d15;s16;d17;d14s18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9FN4OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.50059
Area:469.586
Solvation:-4.23905
Coulombic:-29.1304
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:300.312
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.06
LogP (Chemaxon):2.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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