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Chemical ID: 6853078
Chemical ID:
6853078
Name [?]:
N-cyclohexyl-2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-imine
SMILES [?]:
Cc1ccc2c(c1)c(=NC3CCCCC3)cc(o2)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C24H27NO3/c1-16-9-11-21-19(13-16)20(25-18-7-5-4-6-8-18)15-23(28-21)17-10-12-22(26-2)24(14-17)27-3/h9-15,18H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,26,13,12,14,11,15,3,20,4,21,7,24,16,2,19,10,6,8,5,22,17,23,9,27,25,18/E:(5,6)(7,8)/rA:28nCCCCCCCCNCCCCCCCCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;s11;s12;s13;s10s14;s8;d16;s5s17;s17;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO3 |
All Atoms: | 55 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87394 |
Area: | 608.399 |
Solvation: | -5.33603 |
Coulombic: | -29.2694 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 377.476 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.73 |
LogP (Chemaxon): | 5.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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