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Chemical ID: 4243597
Chemical ID:
4243597
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c(co3)CC(=O)Nc4ccccc4F
InChi [?]:
InChI=1/C20H14FNO2/c21-16-7-3-4-8-17(16)22-19(23)11-14-12-24-18-10-9-13-5-1-2-6-15(13)20(14)18/h1-10,12H,11H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,6,3,22,19,7,8,14,12,5,11,4,23,18,9,15,10,24,17,16,13/rA:24nCCCCCCCCCCCCOCCONCCCCCCF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14FNO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.3657 |
Area: | 495.727 |
Solvation: | -4.02749 |
Coulombic: | -32.8008 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 319.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.19 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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