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Chemical ID: 4113103
Chemical ID:
4113103
Name [?]:
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-chromen-4-imine
SMILES [?]:
COc1ccc(cc1)c2cc(=Nc3ccccc3OC)c4ccccc4o2
InChi [?]:
InChI=1/C23H19NO3/c1-25-17-13-11-16(12-14-17)23-15-20(18-7-3-5-9-21(18)27-23)24-19-8-4-6-10-22(19)26-2/h3-15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,23,15,24,16,22,14,25,17,5,7,4,8,10,6,3,21,13,11,26,18,9,12,2,19,27/E:(11,12)(13,14)/rA:27nCOCCCCCCCCCNCCCCCCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s11;s21;d22;s23;d24;d21s25;s9s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19NO3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.41536 |
Area: | 569.413 |
Solvation: | -4.81996 |
Coulombic: | -30.4488 |
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: | 5.12 |
LogP (Chemaxon): | 5.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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