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Chemical ID: 6857478
Chemical ID:
6857478
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-2-(4-methoxyphenyl)-6-methyl-chromen-4-imine
SMILES [?]:
Cc1ccc2c(c1)c(=Nc3ccc(c(c3)Cl)F)cc(o2)c4ccc(cc4)OC
InChi [?]:
InChI=1/C23H17ClFNO2/c1-14-3-10-22-18(11-14)21(26-16-6-9-20(25)19(24)12-16)13-23(28-22)15-4-7-17(27-2)8-5-15/h3-13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,3,22,26,11,23,25,12,4,7,15,18,2,21,10,24,6,14,13,8,5,19,16,17,9,27,20/E:(4,5)(7,8)/rA:28nCCCCCCCCNCCCCCCClFCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s13;s8;d18;s5s19;s19;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17ClFNO2 |
All Atoms: | 45 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7012 |
Area: | 597.529 |
Solvation: | -4.23704 |
Coulombic: | -26.1183 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 393.838 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.42 |
LogP (Chemaxon): | 7.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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