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Chemical ID: 4796140
Chemical ID:
4796140
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCO)F
InChi [?]:
InChI=1/C22H20FNO5/c1-2-28-15-7-4-13(5-8-15)19-18-20(26)16-12-14(23)6-9-17(16)29-21(18)22(27)24(19)10-3-11-25/h4-9,12,19,25H,2-3,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,26,6,8,17,5,9,18,25,27,15,7,16,4,14,19,11,10,12,21,22,29,24,28,13,23,3,20/E:(4,5)(7,8)/rA:29cCCOCCCCCCCCCOCCCCCCOCCONCCCOF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20FNO5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.49238 |
Area: | 602.659 |
Solvation: | -6.57409 |
Coulombic: | -61.0636 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 397.396 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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