Chemical ID: 4974955

CCc1ccc(cc1)c2c(c3cc(ccc3[nH]2)C)C=O
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

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