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Chemical ID: 6883476
Chemical ID:
6883476
Name [?]:
2-(3,4-dimethoxyphenyl)-6-methyl-N-(2-methylcyclohexyl)-chromen-4-imine
SMILES [?]:
Cc1ccc2c(c1)c(=NC3CCCCC3C)cc(o2)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C25H29NO3/c1-16-9-11-22-19(13-16)21(26-20-8-6-5-7-17(20)2)15-24(29-22)18-10-12-23(27-3)25(14-18)28-4/h9-15,17,20H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,29,27,13,12,14,11,3,21,4,22,7,25,17,2,15,20,6,10,8,5,23,18,24,9,28,26,19/rA:29cCCCCCCCCNCCCCCCCCCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;s11;s12;s13;s10s14;s15;s8;d17;s5s18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO3 |
All Atoms: | 58 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.1312 |
Area: | 617.477 |
Solvation: | -5.30574 |
Coulombic: | -29.417 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 391.503 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.03 |
LogP (Chemaxon): | 5.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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