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Chemical ID: 6901620
Chemical ID:
6901620
Name [?]:
6-chloro-N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-chromen-4-imine
SMILES [?]:
COc1ccc(cc1)c2cc(=Nc3ccc(cc3OC)OC)c4cc(ccc4o2)Cl
InChi [?]:
InChI=1/C24H20ClNO4/c1-27-17-7-4-15(5-8-17)23-14-21(19-12-16(25)6-11-22(19)30-23)26-20-10-9-18(28-2)13-24(20)29-3/h4-14H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,5,7,26,4,8,15,14,27,24,17,10,6,25,3,16,23,13,11,28,9,18,30,12,2,21,19,29/E:(4,5)(7,8)/rA:30nCOCCCCCCCCCNCCCCCCOCOCCCCCCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s11;s23;d24;s25;d26;d23s27;s9s28;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20ClNO4 |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.29724 |
Area: | 604.394 |
Solvation: | -5.8126 |
Coulombic: | -36.2551 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 421.873 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.66 |
LogP (Chemaxon): | 5.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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