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Chemical ID: 3961995
Chemical ID:
3961995
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)N3CCCC3C(=O)N2Cc4ccc(cc4)F
InChi [?]:
InChI=1/C19H17FN2O2/c20-14-9-7-13(8-10-14)12-22-16-5-2-1-4-15(16)18(23)21-11-3-6-17(21)19(22)24/h1-2,4-5,7-10,17H,3,6,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,11,6,3,12,19,23,20,22,10,17,18,21,5,4,13,7,14,24,9,16,8,15/E:(7,8)(9,10)/rA:24cCCCCCCCONCCCCCONCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s9s12;s13;d14;s4s14;s16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17FN2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.5195 |
Area: | 477.433 |
Solvation: | -3.41633 |
Coulombic: | -39.2909 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 324.349 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.91 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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