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Chemical ID: 7723690
Chemical ID:
7723690
Name [?]:
None
SMILES [?]:
Cn1c2c(cccc2sc1=NC(=O)c3cc4c5ccccc5ccc4oc3=O)F
InChi [?]:
InChI=1/C22H13FN2O3S/c1-25-19-16(23)7-4-8-18(19)29-22(25)24-20(26)15-11-14-13-6-3-2-5-12(13)9-10-17(14)28-21(15)27/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,6,21,18,5,7,23,24,15,22,17,16,14,4,25,8,3,12,27,10,29,11,2,13,28,26,9/rA:29nCNCCCCCCSCNCOCCCCCCCCCCCCOCOF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;w10;s11;d12;s12;d14;s15;s16;s17;d18;s19;d20;d17s21;s22;d23;d16s24;s25;s14s26;d27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H13FN2O3S |
All Atoms: | 42 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1695 |
Area: | 571.345 |
Solvation: | -4.11408 |
Coulombic: | -47.3117 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.94 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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