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Chemical ID: 7176782
Chemical ID:
7176782
Name [?]:
2-(5-ethoxy-1H-indol-3-yl)ethanamine
SMILES [?]:
CCOc1ccc2c(c1)c(c[nH]2)CCN
InChi [?]:
InChI=1/C12H16N2O/c1-2-15-10-3-4-12-11(7-10)9(5-6-13)8-14-12/h3-4,7-8,14H,2,5-6,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,13,14,9,11,10,4,8,7,15,12,3/rA:15nCCOCCCCCCCCNCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s7s11;s10;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O |
All Atoms: | 31 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.41738 |
Area: | 397.459 |
Solvation: | -2.51909 |
Coulombic: | -30.4902 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 204.268 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.71 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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