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Chemical ID: 6425584
Chemical ID:
6425584
Name [?]:
1-(3-acetyl-1H-indol-2-yl)ethanone
SMILES [?]:
CC(=O)c1c2ccccc2[nH]c1C(=O)C
InChi [?]:
InChI=1/C12H11NO2/c1-7(14)11-9-5-3-4-6-10(9)13-12(11)8(2)15/h3-6,13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,7,8,6,9,2,13,5,10,4,12,11,3,14/rA:15nCCOCCCCCCCNCCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d4s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.14676 |
Area: | 370.893 |
Solvation: | -3.12557 |
Coulombic: | -26.1845 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 201.221 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.79 |
LogP (Chemaxon): | 0.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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