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Chemical ID: 6759817
Chemical ID:
6759817
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1)C2=CC3c4ccccc4OC(N3N2)c5ccc(cc5)F
InChi [?]:
InChI=1/C26H25FN2O2/c1-2-3-16-30-21-14-10-18(11-15-21)23-17-24-22-6-4-5-7-25(22)31-26(29(24)28-23)19-8-12-20(27)13-9-19/h4-15,17,24,26,28H,2-3,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,17,18,16,19,26,30,8,10,27,29,7,11,4,13,9,25,28,6,15,12,14,20,22,31,24,23,5,21/E:(8,9)(10,11)(12,13)(14,15)/rA:31cCCCCOCCCCCCCCCCCCCCCOCNNCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s14s22;s12s23;s22;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H25FN2O2 |
All Atoms: | 56 |
Heavy Atoms: | 31 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.437 |
Area: | 648.314 |
Solvation: | -4.77083 |
Coulombic: | -34.6811 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 416.487 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.83 |
LogP (Chemaxon): | 5.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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