Molecule

ID:35558

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈BrNO
Molecular Mass
248.16002
Exact Mass
247.0571762
Charge
0
InChI
InChI=1S/C10H18BrNO/c1-2-9(11)10(13)12-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,12,13)
InChIKey
SYUMGAJCRZWJBT-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)NC1CCCCC1)Br
Isomeric Smiles
C(=O)(NC1CCCCC1)C(Br)CC
Calculated Properties
JChem
Acid pKa
13.412576
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.806784
LogD (pH = 7.4)
2.8067837
Log P
2.806784
Molar Refractivity
57.1314
Polarizability
22.35105
Polar Surface Area
29.1
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