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Chemical ID: 7676862
Chemical ID:
7676862
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cnc2cc(c(cc2c1N3CCOCC3)F)F
InChi [?]:
InChI=1/C16H16F2N2O3/c1-2-23-16(21)11-9-19-14-8-13(18)12(17)7-10(14)15(11)20-3-5-22-6-4-20/h7-9H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,21,18,20,13,10,7,14,6,12,11,9,15,4,22,23,8,16,5,19,3/E:(3,4)(5,6)/rA:23nCCOCOCCNCCCCCCCNCCOCCFF/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;s19;s16s20;s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16F2N2O3 |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.51166 |
Area: | 475.629 |
Solvation: | -5.37906 |
Coulombic: | -44.6672 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.61 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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