Molecule

ID:68811

General Information
Structure
MolImage
Molecular Formula
C₇H₈BrN
Molecular Mass
186.04912
Exact Mass
184.98401126
Charge
0
InChI
InChI=1S/C7H8BrN/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
InChIKey
VTRFAYHJKSKHGY-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(C)nc(c1)C
Isomeric Smiles
c1(cc(cc(n1)C)Br)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5012963
LogD (pH = 7.4)
1.7819487
Log P
1.7870663
Molar Refractivity
40.7069
Polarizability
15.755442
Polar Surface Area
12.89
Rotatable Bonds
0
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