Chemical ID: 7727600

c1cc(ccc1C=C2C(=O)c3ccc(c(c3O2)CN4CCCCC4)O)F
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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