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Chemical ID: 5788615
Chemical ID:
5788615
Name [?]:
N-[(5-bromo-1H-indol-3-yl)methyl]-N-methyl-methanamine
SMILES [?]:
CN(C)Cc1c[nH]c2c1cc(cc2)Br
InChi [?]:
InChI=1/C11H13BrN2/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,13,10,6,4,5,11,9,8,14,7,2/E:(1,2)/rA:14nCNCCCCNCCCCCCBr/rB:s1;s2;s2;s4;d5;s6;s7;s5s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13BrN2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.91237 |
Area: | 374.983 |
Solvation: | -1.46221 |
Coulombic: | -16.4849 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 253.138 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.64 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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