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Chemical ID: 4264647
Chemical ID:
4264647
Name [?]:
2-(5-benzyloxy-1H-indol-3-yl)ethanol
SMILES [?]:
c1ccc(cc1)COc2ccc3c(c2)c(c[nH]3)CCO
InChi [?]:
InChI=1/C17H17NO2/c19-9-8-14-11-18-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,18-19H,8-9,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,11,18,19,14,16,7,4,15,9,13,12,17,20,8/E:(2,3)(4,5)/rA:20nCCCCCCCOCCCCCCCCNCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;d15;s12s16;s15;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20362 |
Area: | 479.162 |
Solvation: | -3.77542 |
Coulombic: | -36.6578 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 267.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.07 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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