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Chemical ID: 6693304
Chemical ID:
6693304
Name [?]:
3-(2-hydroxyethyl)-1H-indol-5-ol
SMILES [?]:
c1cc2c(cc1O)c(c[nH]2)CCO
InChi [?]:
InChI=1/C10H11NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,5-6,11-13H,3-4H2
InChi Info:
AuxInfo=1/0/N:1,2,11,12,5,9,8,6,4,3,10,13,7/rA:13nCCCCCCOCCNCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s3s9;s8;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.68387 |
Area: | 346.42 |
Solvation: | -2.97662 |
Coulombic: | -43.3413 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.2 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.03 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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