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Chemical ID: 7712905
Chemical ID:
7712905
Name [?]:
None
SMILES [?]:
CCC(C(=O)Nc1ccccc1F)n2c(c(nn2)C(=O)OC)C(=O)OC
InChi [?]:
InChI=1/C16H17FN4O5/c1-4-11(14(22)18-10-8-6-5-7-9(10)17)21-13(16(24)26-3)12(19-20-21)15(23)25-2/h5-8,11H,4H2,1-3H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,22,26,2,10,9,11,8,12,7,3,16,15,4,19,23,13,6,17,18,14,5,20,24,21,25/rA:26cCCCCONCCCCCCFNCCNNCOOCCOOC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s3;s14;d15;s16;s14d17;s16;d19;s19;s21;s15;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17FN4O5 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.9161 |
Area: | 554.954 |
Solvation: | -4.95776 |
Coulombic: | -68.7758 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.58 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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