Chemical ID: 7214677

c1cc(c(cc1F)Cl)OCc2ccc(o2)c3nc4c5c6c(sc5ncn4n3)CCC6
Chemical ID:
7214677
Name [?]:
None
SMILES [?]:
c1cc(c(cc1F)Cl)OCc2ccc(o2)c3nc4c5c6c(sc5ncn4n3)CCC6
InChi [?]:
InChI=1/C21H14ClFN4O2S/c22-14-8-11(23)4-6-15(14)28-9-12-5-7-16(29-12)19-25-20-18-13-2-1-3-17(13)30-21(18)24-10-27(20)26-19/h4-8,10H,1-3,9H2
InChi Info:
AuxInfo=1/0/N:29,30,28,1,12,2,13,5,10,25,6,11,20,4,3,14,21,19,16,18,23,8,7,24,17,27,26,9,15,22/rA:30nCCCCCCFClOCCCCCOCNCCCCSCNCNNCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;d11;s12;d13;s11s14;s14;s16;d17;s18;s19;d20;s21;d19s22;s23;d24;s18s25;d16s26;s21;s28;s20s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14ClFN4O2S
All Atoms:44
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.1004
Area:638.516
Solvation:-4.86249
Coulombic:-37.2101
Bond Count [?]
All:35
Single:25
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:440.879
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.5
LogP (Chemaxon):4.95

Name Annotations

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Descriptor Annotations

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