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Chemical ID: 6868558
Chemical ID:
6868558
Name [?]:
2-(3,4-dimethoxyphenyl)-N-phenyl-chromen-4-imine
SMILES [?]:
COc1ccc(cc1OC)c2cc(=Nc3ccccc3)c4ccccc4o2
InChi [?]:
InChI=1/C23H19NO3/c1-25-21-13-12-16(14-23(21)26-2)22-15-19(24-17-8-4-3-5-9-17)18-10-6-7-11-20(18)27-22/h3-15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,18,17,19,23,24,16,20,22,25,5,4,7,12,6,15,21,13,26,3,11,8,14,2,9,27/E:(4,5)(8,9)/rA:27nCOCCCCCCOCCCCNCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s13;s21;d22;s23;d24;d21s25;s11s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19NO3 |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70125 |
Area: | 556.295 |
Solvation: | -5.20612 |
Coulombic: | -30.1577 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.402 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.85 |
LogP (Chemaxon): | 5.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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