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Chemical ID: 7746186
Chemical ID:
7746186
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C2=NN(C(C2)c3ccc(cc3)F)C(=O)c4ccco4)O
InChi [?]:
InChI=1/C20H15FN2O3/c21-14-9-7-13(8-10-14)17-12-16(15-4-1-2-5-18(15)24)22-23(17)20(25)19-6-3-11-26-19/h1-11,17,24H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,23,6,3,22,13,17,14,16,24,11,12,15,5,7,10,4,21,19,18,8,9,26,20,25/E:(7,8)(9,10)/rA:26cCCCCCCCNNCCCCCCCCFCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;s7s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;d21;s22;d23;s21s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15FN2O3 |
All Atoms: | 41 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.71473 |
Area: | 524.24 |
Solvation: | -5.39128 |
Coulombic: | -44.2286 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.92 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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