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Chemical ID: 4254548
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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