Chemical ID: 4980713

c1cc(c(cc1Br)c2cc([nH]n2)N)Br
Chemical ID:
4980713
Name [?]:
5-(2,5-dibromophenyl)-2H-pyrazol-3-amine
SMILES [?]:
c1cc(c(cc1Br)c2cc([nH]n2)N)Br
InChi [?]:
InChI=1/C9H7Br2N3/c10-5-1-2-7(11)6(3-5)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,5,9,6,4,3,8,10,7,14,13,12,11/rA:14nCCCCCCBrCCCNNNBr/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s10;d8s11;s10;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7Br2N3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.59842
Area:376.079
Solvation:-1.80355
Coulombic:-26.4391
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:316.98
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.92
LogP (Chemaxon):3.2

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