Molecule

ID:88367

General Information
Structure
Molecular Formula
C₇H₈BrNO
Molecular Mass
202.04852
Exact Mass
200.97892588
Charge
0
InChI
InChI=1S/C7H8BrNO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,9H2,1H3
InChIKey
FHUSNGUPJXGLPL-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)cc(c1)Br
Isomeric Smiles
Nc1cc(cc(c1)Br)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7534794
LogD (pH = 7.4)
1.7553769
Log P
1.7554013
Molar Refractivity
44.8444
Polarizability
16.826893
Polar Surface Area
35.25
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