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Chemical ID: 5748039
Chemical ID:
5748039
Name [?]:
(3-oxo-2,4-dihydroquinoxalin-1-yl)carbonylmethyl 2-(2-fluorophenyl)acetate
SMILES [?]:
c1ccc(c(c1)CC(=O)OCC(=O)N2CC(=O)Nc3c2cccc3)F
InChi [?]:
InChI=1/C18H15FN2O4/c19-13-6-2-1-5-12(13)9-18(24)25-11-17(23)21-10-16(22)20-14-7-3-4-8-15(14)21/h1-8H,9-11H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,23,22,6,3,24,21,7,15,11,5,4,19,20,16,12,8,25,18,14,17,13,9,10/rA:25nCCCCCCCCOOCCONCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s12;s14;s15;d16;s16;s18;s14s19;d20;s21;d22;d19s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15FN2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.03319 |
Area: | 536.78 |
Solvation: | -5.38632 |
Coulombic: | -58.5056 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.53 |
LogP (Chemaxon): | 1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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