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Chemical ID: 6907446
Chemical ID:
6907446
Name [?]:
N-(2,5-dimethoxyphenyl)-6-methoxy-2-(4-methoxyphenyl)-chromen-4-imine
SMILES [?]:
COc1ccc(cc1)c2cc(=Nc3cc(ccc3OC)OC)c4cc(ccc4o2)OC
InChi [?]:
InChI=1/C25H23NO5/c1-27-17-7-5-16(6-8-17)25-15-21(20-13-18(28-2)9-11-23(20)31-25)26-22-14-19(29-3)10-12-24(22)30-4/h5-15H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,22,20,5,7,4,8,26,16,27,17,24,14,10,6,3,25,15,23,11,13,28,18,9,12,2,30,21,19,29/E:(5,6)(7,8)/rA:31nCOCCCCCCCCCNCCCCCCOCOCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s15;s21;s11;s23;d24;s25;d26;d23s27;s9s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H23NO5 |
All Atoms: | 54 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.26448 |
Area: | 619.314 |
Solvation: | -7.21836 |
Coulombic: | -42.2538 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 417.454 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.95 |
LogP (Chemaxon): | 5.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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