Chemical ID: 6587728

c1cc(ccc1NCCC#N)Br
Chemical ID:
6587728
Name [?]:
3-(4-bromophenyl)aminopropanenitrile
SMILES [?]:
c1cc(ccc1NCCC#N)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H9BrN2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.59109
Area:367.86
Solvation:-1.60542
Coulombic:-14.6877
Bond Count [?]
All:12
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:225.085
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.55
LogP (Chemaxon):2.47

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue