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Chemical ID: 7297112
Chemical ID:
7297112
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c(co3)CC(=O)Nc4ccc(cc4F)F
InChi [?]:
InChI=1/C20H13F2NO2/c21-14-6-7-17(16(22)10-14)23-19(24)9-13-11-25-18-8-5-12-3-1-2-4-15(12)20(13)18/h1-8,10-11H,9H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,20,19,8,14,22,12,5,11,21,4,23,18,9,15,10,25,24,17,16,13/rA:25nCCCCCCCCCCCCOCCONCCCCCCFF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13F2NO2 |
All Atoms: | 38 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7579 |
Area: | 502.836 |
Solvation: | -4.81299 |
Coulombic: | -34.9099 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 337.32 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.35 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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