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Chemical ID: 7727600
Chemical ID:
7727600
Name [?]:
None
SMILES [?]:
c1cc(ccc1C=C2C(=O)c3ccc(c(c3O2)CN4CCCCC4)O)F
InChi [?]:
InChI=1/C21H20FNO3/c22-15-6-4-14(5-7-15)12-19-20(25)16-8-9-18(24)17(21(16)26-19)13-23-10-2-1-3-11-23/h4-9,12,24H,1-3,10-11,13H2
InChi Info:
AuxInfo=1/0/N:22,21,23,1,5,2,4,12,13,20,24,7,18,6,3,11,15,14,8,9,16,26,19,25,10,17/E:(2,3)(4,5)(6,7)(10,11)/rA:26nCCCCCCCCCOCCCCCCOCNCCCCCOF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s15;s18;s19;s20;s21;s22;s19s23;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20FNO3 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.49299 |
Area: | 526.473 |
Solvation: | -3.66883 |
Coulombic: | -43.4981 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.0 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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