Molecule

ID:71465

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃N
Molecular Mass
99.17412
Exact Mass
99.10479942
Charge
0
InChI
InChI=1S/C6H13N/c1-2-7-5-6-3-4-6/h6-7H,2-5H2,1H3
InChIKey
UHFLNWZBNRVHGM-UHFFFAOYSA-N
Canonic Smiles
CCNCC1CC1
Isomeric Smiles
C1CC1CNCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.2923224
LogD (pH = 7.4)
-2.0063944
Log P
0.94450676
Molar Refractivity
31.384
Polarizability
12.598926
Polar Surface Area
12.03
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