Chemical ID: 5788615

CN(C)Cc1c[nH]c2c1cc(cc2)Br
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

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Descriptor Annotations

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