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Chemical ID: 6843520
Chemical ID:
6843520
Name [?]:
4-(3-chloro-4-fluoro-phenyl)imino-2-(4-methoxyphenyl)-chromen-6-ol
SMILES [?]:
COc1ccc(cc1)c2cc(=Nc3ccc(c(c3)Cl)F)c4cc(ccc4o2)O
InChi [?]:
InChI=1/C22H15ClFNO3/c1-27-16-6-2-13(3-7-16)22-12-20(17-11-15(26)5-9-21(17)28-22)25-14-4-8-19(24)18(23)10-14/h2-12,26H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,14,24,4,8,15,25,18,22,10,6,13,23,3,21,17,16,11,26,9,19,20,12,28,2,27/E:(2,3)(6,7)/rA:28nCOCCCCCCCCCNCCCCCCClFCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s17;s16;s11;s21;d22;s23;d24;d21s25;s9s26;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15ClFNO3 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.24044 |
Area: | 568.362 |
Solvation: | -4.96861 |
Coulombic: | -40.9501 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 395.811 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.58 |
LogP (Chemaxon): | 6.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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