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Chemical ID: 6853079
Chemical ID:
6853079
Name [?]:
2-(3,4-dimethoxyphenyl)-N-hexyl-6-methyl-chromen-4-imine
SMILES [?]:
CCCCCCN=c1cc(oc2c1cc(cc2)C)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C24H29NO3/c1-5-6-7-8-13-25-20-16-23(28-21-11-9-17(2)14-19(20)21)18-10-12-22(26-3)24(15-18)27-4/h9-12,14-16H,5-8,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,28,26,2,3,4,5,16,20,17,21,6,14,24,9,15,19,13,8,12,22,10,23,7,27,25,11/rA:28nCCCCCCNCCCOCCCCCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;w7;s8;d9;s10;s11;s8s12;d13;s14;d15;d12s16;s15;s10;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29NO3 |
All Atoms: | 57 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7214 |
Area: | 646.06 |
Solvation: | -5.43008 |
Coulombic: | -29.5832 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 379.492 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.33 |
LogP (Chemaxon): | 6.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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