Chemical ID: 4254548

c1ccc2c(c1)c(c[nH]2)C(=O)CO
Chemical ID:
4254548
Name [?]:
2-hydroxy-1-(1H-indol-3-yl)ethanone
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)C(=O)CO
InChi [?]:
InChI=1/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,11-12H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,12,5,7,4,10,9,13,11/rA:13nCCCCCCCCNCOCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;d10;s10;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.35298
Area:335.387
Solvation:-4.0317
Coulombic:-34.765
Bond Count [?]
All:14
Single:9
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:175.184
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.9
LogP (Chemaxon):1.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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