Chemical ID: 5070013

CC(c1cc(ccc1Br)Br)N
Chemical ID:
5070013
Name [?]:
1-(2,5-dibromophenyl)ethanamine
SMILES [?]:
CC(c1cc(ccc1Br)Br)N
InChi [?]:
InChI=1/C8H9Br2N/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,4,2,5,3,8,10,9,11/rA:11cCCCCCCCCBrBrN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;s2;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9Br2N
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:7.78392
Area:335.161
Solvation:-0.595097
Coulombic:-14.0074
Bond Count [?]
All:11
Single:8
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:278.972
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.27
LogP (Chemaxon):3.16

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Descriptor Annotations

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