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Chemical ID: 3967670
Chemical ID:
3967670
Name [?]:
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
SMILES [?]:
CC(=O)NCCc1c[nH]c2c1cc(cc2)O
InChi [?]:
InChI=1/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,14,15,6,5,12,8,2,7,13,11,10,4,9,3,16/rA:16nCCONCCCCNCCCCCCO/rB:s1;d2;s2;s4;s5;s6;d7;s8;s9;s7s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.01298 |
Area: | 413.83 |
Solvation: | -3.33278 |
Coulombic: | -45.9498 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.252 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.24 |
LogP (Chemaxon): | 1.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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