Chemical ID: 5800077

c1ccc(cc1)Cn2c(cc(n2)c3ccc(cc3)Br)N
Chemical ID:
5800077
Name [?]:
2-benzyl-5-(4-bromophenyl)-pyrazol-3-amine
SMILES [?]:
c1ccc(cc1)Cn2c(cc(n2)c3ccc(cc3)Br)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H14BrN3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.82141
Area:479.472
Solvation:-2.16539
Coulombic:-24.0978
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:328.207
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:4.64
LogP (Chemaxon):4.13

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