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Chemical ID: 6853072
Chemical ID:
6853072
Name [?]:
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-methyl-chromen-4-imine
SMILES [?]:
Cc1ccc2c(c1)c(=Nc3ccc(cc3)F)cc(o2)c4ccc(cc4)OC
InChi [?]:
InChI=1/C23H18FNO2/c1-15-3-12-22-20(13-15)21(25-18-8-6-17(24)7-9-18)14-23(27-22)16-4-10-19(26-2)11-5-16/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,3,21,25,12,14,11,15,22,24,4,7,17,2,20,13,10,23,6,8,5,18,16,9,26,19/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCCCCCCCNCCCCCCFCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s5s18;s18;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18FNO2 |
All Atoms: | 45 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96016 |
Area: | 563.877 |
Solvation: | -4.13678 |
Coulombic: | -26.2109 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 359.393 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.8 |
LogP (Chemaxon): | 6.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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