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Chemical ID: 4974955
Chemical ID:
4974955
Name [?]:
2-(4-ethylphenyl)-5-methyl-1H-indole-3-carbaldehyde
SMILES [?]:
CCc1ccc(cc1)c2c(c3cc(ccc3[nH]2)C)C=O
InChi [?]:
InChI=1/C18H17NO/c1-3-13-5-7-14(8-6-13)18-16(11-20)15-10-12(2)4-9-17(15)19-18/h4-11,19H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,14,4,8,5,7,15,12,19,13,3,6,11,10,16,9,17,20/E:(5,6)(7,8)/rA:20nCCCCCCCCCCCCCCCCNCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s13;s10;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01942 |
Area: | 459.617 |
Solvation: | -2.47099 |
Coulombic: | -20.2985 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.334 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.08 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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