Chemical ID: 5145881

Cc1c(c2ccccc2n1C(=O)C)C=O
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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