Molecule

ID:34993

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈BrN
Molecular Mass
268.19272
Exact Mass
267.06226158
Charge
0
InChI
InChI=1S/C13H18BrN/c1-15(12-7-3-4-8-12)10-11-6-2-5-9-13(11)14/h2,5-6,9,12H,3-4,7-8,10H2,1H3
InChIKey
ZGFIVFAJZNCZOU-UHFFFAOYSA-N
Canonic Smiles
CN(C1CCCC1)Cc1ccccc1Br
Isomeric Smiles
c1(CN(C2CCCC2)C)c(Br)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4417357
LogD (pH = 7.4)
3.2152624
Log P
4.038097
Molar Refractivity
68.6367
Polarizability
26.687763
Polar Surface Area
3.24
Rotatable Bonds
3
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