Chemical ID: 6618456

Cn1ccc2c1ccc(c2)Br
Chemical ID:
6618456
Name [?]:
5-bromo-1-methyl-indole
SMILES [?]:
Cn1ccc2c1ccc(c2)Br
InChi [?]:
InChI=1/C9H8BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,7,4,3,10,5,9,6,11,2/rA:11nCNCCCCCCCCBr/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8BrN
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.82902
Area:312.476
Solvation:-0.982875
Coulombic:-6.65956
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:210.071
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.28
LogP (Chemaxon):3.49

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Descriptor Annotations

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