Chemical ID: 5575235

Cc1c2ccccc2[nH]c1C(=O)C
Chemical ID:
5575235
Name [?]:
1-(3-methyl-1H-indol-2-yl)ethanone
SMILES [?]:
Cc1c2ccccc2[nH]c1C(=O)C
InChi [?]:
InChI=1/C11H11NO/c1-7-9-5-3-4-6-10(9)12-11(7)8(2)13/h3-6,12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,5,6,4,7,2,11,3,8,10,9,12/rA:13nCCCCCCCCNCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.62967
Area:334.237
Solvation:-1.72625
Coulombic:-19.9593
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:173.211
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.17
LogP (Chemaxon):1.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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