Molecule

ID:74892

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Br₂N
Molecular Mass
307.02492
Exact Mass
304.94147342
Charge
0
InChI
InChI=1S/C10H13Br2N/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5H,13H2,1-3H3
InChIKey
FEHTXNYXDWPZCQ-UHFFFAOYSA-N
Canonic Smiles
Nc1c(Br)cc(cc1Br)C(C)(C)C
Isomeric Smiles
Nc1c(cc(cc1Br)C(C)(C)C)Br
Calculated Properties
JChem
Acid pKa
19.91301
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.2264457
LogD (pH = 7.4)
4.226876
Log P
4.2268815
Molar Refractivity
64.6699
Polarizability
24.442774
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation