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Chemical ID: 5145881
Chemical ID:
5145881
Name [?]:
1-acetyl-2-methyl-indole-3-carbaldehyde
SMILES [?]:
Cc1c(c2ccccc2n1C(=O)C)C=O
InChi [?]:
InChI=1/C12H11NO2/c1-8-11(7-14)10-5-3-4-6-12(10)13(8)9(2)15/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,6,7,5,8,14,2,11,4,3,9,10,15,12/rA:15nCCCCCCCCCNCOCCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;d11;s11;s3;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.93788 |
Area: | 368.258 |
Solvation: | -3.26857 |
Coulombic: | -21.1469 |
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: | 1.4 |
LogP (Chemaxon): | 1.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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