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Chemical ID: 6868571
Chemical ID:
6868571
Name [?]:
4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]aminophenol
SMILES [?]:
COc1ccc(cc1OC)c2cc(=Nc3ccc(cc3)O)c4ccccc4o2
InChi [?]:
InChI=1/C23H19NO4/c1-26-21-12-7-15(13-23(21)27-2)22-14-19(18-5-3-4-6-20(18)28-22)24-16-8-10-17(25)11-9-16/h3-14,25H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,24,25,23,26,5,16,20,17,19,4,7,12,6,15,18,22,13,27,3,11,8,14,21,2,9,28/E:(8,9)(10,11)/rA:28nCOCCCCCCOCCCCNCCCCCCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s13;s22;d23;s24;d25;d22s26;s11s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19NO4 |
All Atoms: | 47 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.21493 |
Area: | 572.907 |
Solvation: | -6.10774 |
Coulombic: | -44.8713 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 373.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.45 |
LogP (Chemaxon): | 5.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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