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Chemical ID: 4519410
Chemical ID:
4519410
Name [?]:
2-(1H-indol-3-yl)-N,N-dimethyl-ethanamine
SMILES [?]:
CN(C)CCc1c[nH]c2c1cccc2
InChi [?]:
InChI=1/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,13,11,14,5,4,7,6,10,9,8,2/E:(1,2)/rA:14nCNCCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.92134 |
Area: | 375.005 |
Solvation: | -1.45379 |
Coulombic: | -16.9323 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 188.269 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.0 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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