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Chemical ID: 5928445
Chemical ID:
5928445
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c(n2Cc4ccccc4F)nc(nn3)SCCCCC(=O)NCCC(C)C
InChi [?]:
InChI=1/C27H32FN5OS/c1-18(2)13-14-29-24(34)10-6-7-15-35-27-30-26-25(31-32-27)21-16-19(3)11-12-23(21)33(26)17-20-8-4-5-9-22(20)28/h4-5,8-9,11-12,16,18H,6-7,10,13-15,17H2,1-3H3,(H,29,34)
InChi Info:
AuxInfo=1/1/N:34,35,1,14,15,26,25,13,16,27,3,4,32,31,24,7,11,33,2,12,6,17,5,28,8,9,20,18,30,19,22,21,10,29,23/E:(1,2)/rA:35nCCCCCCCCCNCCCCCCCFNCNNSCCCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d9;s19;d20;d8s21;s20;s23;s24;s25;s26;s27;d28;s28;s30;s31;s32;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H32FN5OS |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 16.0735 |
Area: | 774.319 |
Solvation: | -3.2845 |
Coulombic: | -46.2742 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 493.64 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.99 |
LogP (Chemaxon): | 6.36 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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